N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate

C118H130F6N18O15S3 — CID 158295612

IUPACN-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)n1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCCCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCN(C)CC4)cc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)cc1
InChIInChI=1S/C28H35N5O3.C28H34N4O3.2C21H21F2N3O3S.C20H19F2N3O3S/c1-4-33-26-19-23(36-17-7-12-32-15-13-31(3)14-16-32)10-11-24(26)25(20-29)27(33)21-8-6-9-22(18-21)30-28(34)35-5-2;1-3-32-26-19-23(35-17-9-16-31-14-6-5-7-15-31)12-13-24(26)25(20-29)27(32)21-10-8-11-22(18-21)30-28(33)34-4-2;1-4-30(27,28)25-15-7-5-14(6-8-15)20-18(12-24)17-10-9-16(29-21(22)23)11-19(17)26(20)13(2)3;1-3-11-26-19-12-16(29-21(22)23)9-10-17(19)18(13-24)20(26)14-5-7-15(8-6-14)25-30(27,28)4-2;1-12(2)25-18-10-15(28-20(21)22)8-9-16(18)17(11-23)19(25)13-4-6-14(7-5-13)24-29(3,26)27/h6,8-11,18-19H,4-5,7,12-17H2,1-3H3,(H,30,34);8,10-13,18-19H,3-7,9,14-17H2,1-2H3,(H,30,33);5-11,13,21,25H,4H2,1-3H3;5-10,12,21,25H,3-4,11H2,1-2H3;4-10,12,20,24H,1-3H3
InChIKeyGLWJHBHKPMULIH-UHFFFAOYSA-N
MW2250.64 g/mol
LogP25.62
Rot. Bonds39

About N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate

N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate (PubChem CID 158295612) has the molecular formula C118H130F6N18O15S3 and a molecular weight of 2250.64 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
PubChem CID158295612
Molecular FormulaC118H130F6N18O15S3
Molecular Weight2250.64 g/mol
Exact Mass2248.90
IUPAC NameN-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)n1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCCCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCN(C)CC4)cc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)cc1
InChIInChI=1S/C28H35N5O3.C28H34N4O3.2C21H21F2N3O3S.C20H19F2N3O3S/c1-4-33-26-19-23(36-17-7-12-32-15-13-31(3)14-16-32)10-11-24(26)25(20-29)27(33)21-8-6-9-22(18-21)30-28(34)35-5-2;1-3-32-26-19-23(35-17-9-16-31-14-6-5-7-15-31)12-13-24(26)25(20-29)27(32)21-10-8-11-22(18-21)30-28(33)34-4-2;1-4-30(27,28)25-15-7-5-14(6-8-15)20-18(12-24)17-10-9-16(29-21(22)23)11-19(17)26(20)13(2)3;1-3-11-26-19-12-16(29-21(22)23)9-10-17(19)18(13-24)20(26)14-5-7-15(8-6-14)25-30(27,28)4-2;1-12(2)25-18-10-15(28-20(21)22)8-9-16(18)17(11-23)19(25)13-4-6-14(7-5-13)24-29(3,26)27/h6,8-11,18-19H,4-5,7,12-17H2,1-3H3,(H,30,34);8,10-13,18-19H,3-7,9,14-17H2,1-2H3,(H,30,33);5-11,13,21,25H,4H2,1-3H3;5-10,12,21,25H,3-4,11H2,1-2H3;4-10,12,20,24H,1-3H3
InChIKeyGLWJHBHKPMULIH-UHFFFAOYSA-N
XLogP25.62
TPSA414.64 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds39
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002250.64
LogP ≤ 525.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate (CID 158295612) is N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate is CC(C)n1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCCCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCN(C)CC4)cc3n2CC)c1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)cc1.
What is the InChIKey of N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is GLWJHBHKPMULIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3.C28H34N4O3.2C21H21F2N3O3S.C20H19F2N3O3S/c1-4-33-26-19-23(36-17-7-12-32-15-13-31(3)14-16-32)10-11-24(26)25(20-29)27(33)21-8-6-9-22(18-21)30-28(34)35-5-2;1-3-32-26-19-23(35-17-9-16-31-14-6-5-7-15-31)12-13-24(26)25(20-29)27(32)21-10-8-11-22(18-21)30-28(33)34-4-2;1-4-30(27,28)25-15-7-5-14(6-8-15)20-18(12-24)17-10-9-16(29-21(22)23)11-19(17)26(20)13(2)3;1-3-11-26-19-12-16(29-21(22)23)9-10-17(19)18(13-24)20(26)14-5-7-15(8-6-14)25-30(27,28)4-2;1-12(2)25-18-10-15(28-20(21)22)8-9-16(18)17(11-23)19(25)13-4-6-14(7-5-13)24-29(3,26)27/h6,8-11,18-19H,4-5,7,12-17H2,1-3H3,(H,30,34);8,10-13,18-19H,3-7,9,14-17H2,1-2H3,(H,30,33);5-11,13,21,25H,4H2,1-3H3;5-10,12,21,25H,3-4,11H2,1-2H3;4-10,12,20,24H,1-3H3.
What are the key properties of N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate?
N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2250.64 g/mol, XLogP of 25.62, 39 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158295612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).