2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate

C132H135ClF3N19O18S5 — CID 157172112

About 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate

2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 157172112) has the molecular formula C132H135ClF3N19O18S5 and a molecular weight of 2528.43 g/mol. Its IUPAC name is 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 157172112
• Molecular Formula: C132H135ClF3N19O18S5
• Molecular Weight: 2528.43 g/mol
• Exact Mass: 2525.85
• IUPAC Name: 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
• SMILES: CCn1c(-c2ccc(NS(=O)(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.COc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC(C)C)c2c1.COc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC3CC3)c2c1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OC(C)C)c3)n(C3CCCC3)c2c1.COc1ccc2c(C#N)c(-c3cccc(NS(C)(=O)=O)c3)n(C3CCCC3)c2c1
• InChI: InChI=1S/C25H27N3O3.C23H23N3O3S.C23H25N3O3S.C22H23N3O3S.C20H21ClN4O3S.C19H16F3N3O3S/c1-16(2)31-25(29)27-18-8-6-7-17(13-18)24-22(15-26)21-12-11-20(30-3)14-23(21)28(24)19-9-4-5-10-19;1-29-19-9-10-20-21(14-24)23(25(22(20)13-19)15-16-3-4-16)17-5-7-18(8-6-17)26-11-2-12-30(26,27)28;1-16(2)15-25-22-13-19(29-3)9-10-20(22)21(14-24)23(25)17-5-7-18(8-6-17)26-11-4-12-30(26,27)28;1-28-18-10-11-19-20(14-23)22(25(21(19)13-18)17-8-3-4-9-17)15-6-5-7-16(12-15)24-29(2,26)27;1-3-25-19-12-16(28-2)8-9-17(19)18(13-22)20(25)14-4-6-15(7-5-14)24-29(26,27)23-11-10-21;1-3-25-17-10-14(28-19(20,21)22)8-9-15(17)16(11-23)18(25)12-4-6-13(7-5-12)24-29(2,26)27/h6-8,11-14,16,19H,4-5,9-10H2,1-3H3,(H,27,29);5-10,13,16H,2-4,11-12,15H2,1H3;5-10,13,16H,4,11-12,15H2,1-3H3;5-7,10-13,17,24H,3-4,8-9H2,1-2H3;4-9,12,23-24H,3,10-11H2,1-2H3;4-10,24H,3H2,1-2H3
• InChIKey: ANOZOYMVXCQBNS-UHFFFAOYSA-N
• XLogP: 27.62
• TPSA: 491.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2528.43
LogP ≤ 5	27.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 157172112) is 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate is CCn1c(-c2ccc(NS(=O)(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.COc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC(C)C)c2c1.COc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC3CC3)c2c1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OC(C)C)c3)n(C3CCCC3)c2c1.COc1ccc2c(C#N)c(-c3cccc(NS(C)(=O)=O)c3)n(C3CCCC3)c2c1.

What is the InChIKey of 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?

The InChIKey is ANOZOYMVXCQBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3.C23H23N3O3S.C23H25N3O3S.C22H23N3O3S.C20H21ClN4O3S.C19H16F3N3O3S/c1-16(2)31-25(29)27-18-8-6-7-17(13-18)24-22(15-26)21-12-11-20(30-3)14-23(21)28(24)19-9-4-5-10-19;1-29-19-9-10-20-21(14-24)23(25(22(20)13-19)15-16-3-4-16)17-5-7-18(8-6-17)26-11-2-12-30(26,27)28;1-16(2)15-25-22-13-19(29-3)9-10-20(22)21(14-24)23(25)17-5-7-18(8-6-17)26-11-4-12-30(26,27)28;1-28-18-10-11-19-20(14-23)22(25(21(19)13-18)17-8-3-4-9-17)15-6-5-7-16(12-15)24-29(2,26)27;1-3-25-19-12-16(28-2)8-9-17(19)18(13-22)20(25)14-4-6-15(7-5-14)24-29(26,27)23-11-10-21;1-3-25-17-10-14(28-19(20,21)22)8-9-15(17)16(11-23)18(25)12-4-6-13(7-5-12)24-29(2,26)27/h6-8,11-14,16,19H,4-5,9-10H2,1-3H3,(H,27,29);5-10,13,16H,2-4,11-12,15H2,1H3;5-10,13,16H,4,11-12,15H2,1-3H3;5-7,10-13,17,24H,3-4,8-9H2,1-2H3;4-9,12,23-24H,3,10-11H2,1-2H3;4-10,24H,3H2,1-2H3.

What are the key properties of 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?

2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2528.43 g/mol, XLogP of 27.62, 33 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157172112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).