N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate

C279H291F9N34O39S3 — CID 158684594

IUPACN-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)NC(=O)Oc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CCCNC(=O)Oc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CCNC(=O)Oc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)C(F)(F)F.N#Cc1c(-c2ccc(NC(=O)O[C@@H](c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)O[C@H](c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(N3CCOCC3)ccc12
InChIInChI=1S/2C32H28F3N3O5.2C28H31N3O4.C27H26F3N3O5.C27H30N4O3.C27H29N3O4.C26H28N4O3S.2C26H30N4O3S/c2*33-32(34,35)30(21-5-2-1-3-6-21)43-31(39)37-22-11-9-20(10-12-22)29-26(18-36)25-14-13-24(42-19-28-40-15-16-41-28)17-27(25)38(29)23-7-4-8-23;1-18(2)30-28(32)35-21-8-6-19(7-9-21)27-25(17-29)24-11-10-23(34-22-12-14-33-15-13-22)16-26(24)31(27)20-4-3-5-20;1-2-14-30-28(32)35-21-8-6-19(7-9-21)27-25(18-29)24-11-10-23(34-22-12-15-33-16-13-22)17-26(24)31(27)20-4-3-5-20;1-16(27(28,29)30)38-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-11-20(36-14-21-13-35-15-37-21)9-10-24(22)33(25)19-3-2-4-19;1-18(2)34-27(32)29-20-8-6-19(7-9-20)26-24(17-28)23-11-10-22(30-12-14-33-15-13-30)16-25(23)31(26)21-4-3-5-21;1-2-29-27(31)34-20-8-6-18(7-9-20)26-24(17-28)23-11-10-22(33-21-12-14-32-15-13-21)16-25(23)30(26)19-4-3-5-19;27-17-24-23-11-8-21(29-12-14-33-15-13-29)16-25(23)30(20-2-1-3-20)26(24)18-4-6-19(7-5-18)28-34(31,32)22-9-10-22;1-18(2)34(31,32)28-20-8-6-19(7-9-20)26-24(17-27)23-11-10-22(29-12-14-33-15-13-29)16-25(23)30(26)21-4-3-5-21;1-2-16-34(31,32)28-20-8-6-19(7-9-20)26-24(18-27)23-11-10-22(29-12-14-33-15-13-29)17-25(23)30(26)21-4-3-5-21/h2*1-3,5-6,9-14,17,23,28,30H,4,7-8,15-16,19H2,(H,37,39);6-11,16,18,20,22H,3-5,12-15H2,1-2H3,(H,30,32);6-11,17,20,22H,2-5,12-16H2,1H3,(H,30,32);5-11,16,19,21H,2-4,13-15H2,1H3,(H,32,34);6-11,16,18,21H,3-5,12-15H2,1-2H3,(H,29,32);6-11,16,19,21H,2-5,12-15H2,1H3,(H,29,31);4-8,11,16,20,22,28H,1-3,9-10,12-15H2;6-11,16,18,21,28H,3-5,12-15H2,1-2H3;6-11,17,21,28H,2-5,12-16H2,1H3/t2*30-;;;16-,21?;;;;;/m10..1...../s1
InChIKeyIFOLDXFYWJQGDJ-KGWBFTELSA-N
MW5011.78 g/mol
LogP58.79
Rot. Bonds66

About N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate

N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 158684594) has the molecular formula C279H291F9N34O39S3 and a molecular weight of 5011.78 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound NameN-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
PubChem CID158684594
Molecular FormulaC279H291F9N34O39S3
Molecular Weight5011.78 g/mol
Exact Mass5008.09
IUPAC NameN-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)NC(=O)Oc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CCCNC(=O)Oc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CCNC(=O)Oc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)C(F)(F)F.N#Cc1c(-c2ccc(NC(=O)O[C@@H](c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)O[C@H](c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(N3CCOCC3)ccc12
InChIInChI=1S/2C32H28F3N3O5.2C28H31N3O4.C27H26F3N3O5.C27H30N4O3.C27H29N3O4.C26H28N4O3S.2C26H30N4O3S/c2*33-32(34,35)30(21-5-2-1-3-6-21)43-31(39)37-22-11-9-20(10-12-22)29-26(18-36)25-14-13-24(42-19-28-40-15-16-41-28)17-27(25)38(29)23-7-4-8-23;1-18(2)30-28(32)35-21-8-6-19(7-9-21)27-25(17-29)24-11-10-23(34-22-12-14-33-15-13-22)16-26(24)31(27)20-4-3-5-20;1-2-14-30-28(32)35-21-8-6-19(7-9-21)27-25(18-29)24-11-10-23(34-22-12-15-33-16-13-22)17-26(24)31(27)20-4-3-5-20;1-16(27(28,29)30)38-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-11-20(36-14-21-13-35-15-37-21)9-10-24(22)33(25)19-3-2-4-19;1-18(2)34-27(32)29-20-8-6-19(7-9-20)26-24(17-28)23-11-10-22(30-12-14-33-15-13-30)16-25(23)31(26)21-4-3-5-21;1-2-29-27(31)34-20-8-6-18(7-9-20)26-24(17-28)23-11-10-22(33-21-12-14-32-15-13-21)16-25(23)30(26)19-4-3-5-19;27-17-24-23-11-8-21(29-12-14-33-15-13-29)16-25(23)30(20-2-1-3-20)26(24)18-4-6-19(7-5-18)28-34(31,32)22-9-10-22;1-18(2)34(31,32)28-20-8-6-19(7-9-20)26-24(17-27)23-11-10-22(29-12-14-33-15-13-29)16-25(23)30(26)21-4-3-5-21;1-2-16-34(31,32)28-20-8-6-19(7-9-20)26-24(18-27)23-11-10-22(29-12-14-33-15-13-29)17-25(23)30(26)21-4-3-5-21/h2*1-3,5-6,9-14,17,23,28,30H,4,7-8,15-16,19H2,(H,37,39);6-11,16,18,20,22H,3-5,12-15H2,1-2H3,(H,30,32);6-11,17,20,22H,2-5,12-16H2,1H3,(H,30,32);5-11,16,19,21H,2-4,13-15H2,1H3,(H,32,34);6-11,16,18,21H,3-5,12-15H2,1-2H3,(H,29,32);6-11,16,19,21H,2-5,12-15H2,1H3,(H,29,31);4-8,11,16,20,22,28H,1-3,9-10,12-15H2;6-11,16,18,21,28H,3-5,12-15H2,1-2H3;6-11,17,21,28H,2-5,12-16H2,1H3/t2*30-;;;16-,21?;;;;;/m10..1...../s1
InChIKeyIFOLDXFYWJQGDJ-KGWBFTELSA-N
XLogP58.79
TPSA882.35 Ų
H-Bond Donors10
H-Bond Acceptors63
Rotatable Bonds66
Heavy Atoms364
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005011.78
LogP ≤ 558.79
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1063

Analyze N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate (CID 158684594) is N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate is CC(C)NC(=O)Oc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CCCNC(=O)Oc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CCNC(=O)Oc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)C(F)(F)F.N#Cc1c(-c2ccc(NC(=O)O[C@@H](c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)O[C@H](c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(N3CCOCC3)ccc12.
What is the InChIKey of N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is IFOLDXFYWJQGDJ-KGWBFTELSA-N. The full InChI is InChI=1S/2C32H28F3N3O5.2C28H31N3O4.C27H26F3N3O5.C27H30N4O3.C27H29N3O4.C26H28N4O3S.2C26H30N4O3S/c2*33-32(34,35)30(21-5-2-1-3-6-21)43-31(39)37-22-11-9-20(10-12-22)29-26(18-36)25-14-13-24(42-19-28-40-15-16-41-28)17-27(25)38(29)23-7-4-8-23;1-18(2)30-28(32)35-21-8-6-19(7-9-21)27-25(17-29)24-11-10-23(34-22-12-14-33-15-13-22)16-26(24)31(27)20-4-3-5-20;1-2-14-30-28(32)35-21-8-6-19(7-9-21)27-25(18-29)24-11-10-23(34-22-12-15-33-16-13-22)17-26(24)31(27)20-4-3-5-20;1-16(27(28,29)30)38-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-11-20(36-14-21-13-35-15-37-21)9-10-24(22)33(25)19-3-2-4-19;1-18(2)34-27(32)29-20-8-6-19(7-9-20)26-24(17-28)23-11-10-22(30-12-14-33-15-13-30)16-25(23)31(26)21-4-3-5-21;1-2-29-27(31)34-20-8-6-18(7-9-20)26-24(17-28)23-11-10-22(33-21-12-14-32-15-13-21)16-25(23)30(26)19-4-3-5-19;27-17-24-23-11-8-21(29-12-14-33-15-13-29)16-25(23)30(20-2-1-3-20)26(24)18-4-6-19(7-5-18)28-34(31,32)22-9-10-22;1-18(2)34(31,32)28-20-8-6-19(7-9-20)26-24(17-27)23-11-10-22(29-12-14-33-15-13-29)16-25(23)30(26)21-4-3-5-21;1-2-16-34(31,32)28-20-8-6-19(7-9-20)26-24(18-27)23-11-10-22(29-12-14-33-15-13-29)17-25(23)30(26)21-4-3-5-21/h2*1-3,5-6,9-14,17,23,28,30H,4,7-8,15-16,19H2,(H,37,39);6-11,16,18,20,22H,3-5,12-15H2,1-2H3,(H,30,32);6-11,17,20,22H,2-5,12-16H2,1H3,(H,30,32);5-11,16,19,21H,2-4,13-15H2,1H3,(H,32,34);6-11,16,18,21H,3-5,12-15H2,1-2H3,(H,29,32);6-11,16,19,21H,2-5,12-15H2,1H3,(H,29,31);4-8,11,16,20,22,28H,1-3,9-10,12-15H2;6-11,16,18,21,28H,3-5,12-15H2,1-2H3;6-11,17,21,28H,2-5,12-16H2,1H3/t2*30-;;;16-,21?;;;;;/m10..1...../s1.
What are the key properties of N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 5011.78 g/mol, XLogP of 58.79, 66 rotatable bonds, 10 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-ethylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propan-2-ylcarbamate;[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl] N-propylcarbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158684594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).