N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate

C134H141Cl2FN20O16S2 — CID 157347915

IUPACN-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate
SMILESCCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CCC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCOC(=O)Nc1cc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)ccc1OC.CCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C24H26N4O3.C24H27N3O4.C23H24FN3O3.C23H26N4O2.C20H18ClN3O2S.C20H20ClN3O2S/c1-3-28-22-9-8-19(27-10-12-30-13-11-27)15-20(22)21(16-25)23(28)17-6-5-7-18(14-17)26-24(29)31-4-2;1-6-27-21-13-17(31-15(3)4)9-10-18(21)19(14-25)23(27)16-8-11-22(29-5)20(12-16)26-24(28)30-7-2;1-5-27-21-12-16(30-14(3)4)8-9-17(21)19(13-25)22(27)18-11-15(7-10-20(18)24)26-23(28)29-6-2;1-4-11-25-23(28)26-17-8-6-7-16(13-17)22-20(15-24)19-10-9-18(29-3)14-21(19)27(22)12-5-2;1-2-24-19-10-5-14(21)11-17(19)18(12-22)20(24)13-3-6-15(7-4-13)23-27(25,26)16-8-9-16;1-3-11-27(25,26)23-16-8-5-14(6-9-16)20-18(13-22)17-12-15(21)7-10-19(17)24(20)4-2/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,26,29);8-13,15H,6-7H2,1-5H3,(H,26,28);7-12,14H,5-6H2,1-4H3,(H,26,28);6-10,13-14H,4-5,11-12H2,1-3H3,(H2,25,26,28);3-7,10-11,16,23H,2,8-9H2,1H3;5-10,12,23H,3-4,11H2,1-2H3
InChIKeyBHEOLFPNAQNQOG-UHFFFAOYSA-N
MW2441.76 g/mol
LogP30.76
Rot. Bonds36

About N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate

N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate (PubChem CID 157347915) has the molecular formula C134H141Cl2FN20O16S2 and a molecular weight of 2441.76 g/mol. Its IUPAC name is N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate.

Molecular Properties

Compound NameN-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate
PubChem CID157347915
Molecular FormulaC134H141Cl2FN20O16S2
Molecular Weight2441.76 g/mol
Exact Mass2438.96
IUPAC NameN-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate
SMILESCCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CCC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCOC(=O)Nc1cc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)ccc1OC.CCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C24H26N4O3.C24H27N3O4.C23H24FN3O3.C23H26N4O2.C20H18ClN3O2S.C20H20ClN3O2S/c1-3-28-22-9-8-19(27-10-12-30-13-11-27)15-20(22)21(16-25)23(28)17-6-5-7-18(14-17)26-24(29)31-4-2;1-6-27-21-13-17(31-15(3)4)9-10-18(21)19(14-25)23(27)16-8-11-22(29-5)20(12-16)26-24(28)30-7-2;1-5-27-21-12-16(30-14(3)4)8-9-17(21)19(13-25)22(27)18-11-15(7-10-20(18)24)26-23(28)29-6-2;1-4-11-25-23(28)26-17-8-6-7-16(13-17)22-20(15-24)19-10-9-18(29-3)14-21(19)27(22)12-5-2;1-2-24-19-10-5-14(21)11-17(19)18(12-22)20(24)13-3-6-15(7-4-13)23-27(25,26)16-8-9-16;1-3-11-27(25,26)23-16-8-5-14(6-9-16)20-18(13-22)17-12-15(21)7-10-19(17)24(20)4-2/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,26,29);8-13,15H,6-7H2,1-5H3,(H,26,28);7-12,14H,5-6H2,1-4H3,(H,26,28);6-10,13-14H,4-5,11-12H2,1-3H3,(H2,25,26,28);3-7,10-11,16,23H,2,8-9H2,1H3;5-10,12,23H,3-4,11H2,1-2H3
InChIKeyBHEOLFPNAQNQOG-UHFFFAOYSA-N
XLogP30.76
TPSA470.17 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds36
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002441.76
LogP ≤ 530.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate?
The IUPAC name of N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate (CID 157347915) is N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate.
What is the SMILES notation for N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate?
The canonical SMILES for N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate is CCCNC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CCC)c1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)cc1.CCOC(=O)Nc1cc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)ccc1OC.CCOC(=O)Nc1ccc(F)c(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(N4CCOCC4)ccc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2cc(Cl)ccc21.
What is the InChIKey of N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate?
The InChIKey is BHEOLFPNAQNQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3.C24H27N3O4.C23H24FN3O3.C23H26N4O2.C20H18ClN3O2S.C20H20ClN3O2S/c1-3-28-22-9-8-19(27-10-12-30-13-11-27)15-20(22)21(16-25)23(28)17-6-5-7-18(14-17)26-24(29)31-4-2;1-6-27-21-13-17(31-15(3)4)9-10-18(21)19(14-25)23(27)16-8-11-22(29-5)20(12-16)26-24(28)30-7-2;1-5-27-21-12-16(30-14(3)4)8-9-17(21)19(13-25)22(27)18-11-15(7-10-20(18)24)26-23(28)29-6-2;1-4-11-25-23(28)26-17-8-6-7-16(13-17)22-20(15-24)19-10-9-18(29-3)14-21(19)27(22)12-5-2;1-2-24-19-10-5-14(21)11-17(19)18(12-22)20(24)13-3-6-15(7-4-13)23-27(25,26)16-8-9-16;1-3-11-27(25,26)23-16-8-5-14(6-9-16)20-18(13-22)17-12-15(21)7-10-19(17)24(20)4-2/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,26,29);8-13,15H,6-7H2,1-5H3,(H,26,28);7-12,14H,5-6H2,1-4H3,(H,26,28);6-10,13-14H,4-5,11-12H2,1-3H3,(H2,25,26,28);3-7,10-11,16,23H,2,8-9H2,1H3;5-10,12,23H,3-4,11H2,1-2H3.
What are the key properties of N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate?
N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate has a molecular weight of 2441.76 g/mol, XLogP of 30.76, 36 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;1-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-propylurea;ethyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-4-fluorophenyl]carbamate;ethyl N-[5-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate is sourced from PubChem (CID 157347915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).