3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide

C26H29N5O4S — CID 166430282

IUPAC3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(C(=O)N(C)C)CCCC3)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C26H29N5O4S/c1-17-9-10-21(23-22(17)19(14-27)15-28-23)30-36(34,35)20-8-6-7-18(13-20)24(32)29-16-26(11-4-5-12-26)25(33)31(2)3/h6-10,13,15,28,30H,4-5,11-12,16H2,1-3H3,(H,29,32)
InChIKeySMRSINBALOMMKE-UHFFFAOYSA-N
MW507.62 g/mol
LogP3.53
Rot. Bonds7

About 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide

3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide (PubChem CID 166430282) has the molecular formula C26H29N5O4S and a molecular weight of 507.62 g/mol. Its IUPAC name is 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide
PubChem CID166430282
Molecular FormulaC26H29N5O4S
Molecular Weight507.62 g/mol
Exact Mass507.19
IUPAC Name3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(C(=O)N(C)C)CCCC3)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C26H29N5O4S/c1-17-9-10-21(23-22(17)19(14-27)15-28-23)30-36(34,35)20-8-6-7-18(13-20)24(32)29-16-26(11-4-5-12-26)25(33)31(2)3/h6-10,13,15,28,30H,4-5,11-12,16H2,1-3H3,(H,29,32)
InChIKeySMRSINBALOMMKE-UHFFFAOYSA-N
XLogP3.53
TPSA135.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.62
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 155116653
propan-2-yl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 166148415
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-nitrobenzenesulfonamide
CID 147300883
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-morpholin-4-ylbenzenesulfonamide
CID 177228503
benzyl N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoyl]-methylamino]carbamate
CID 166430256
4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
CID 167807391
3-[(3-cyano-4-methyl-1H-indol-7-yl)amino]sulfanyl-N,N-dimethylbenzamide
CID 171804927
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid
CID 170332020
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047
4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide
CID 119129641

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide (CID 166430282) is 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(C(=O)N(C)C)CCCC3)c2)c2[nH]cc(C#N)c12.
What is the InChIKey of 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide?
The InChIKey is SMRSINBALOMMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S/c1-17-9-10-21(23-22(17)19(14-27)15-28-23)30-36(34,35)20-8-6-7-18(13-20)24(32)29-16-26(11-4-5-12-26)25(33)31(2)3/h6-10,13,15,28,30H,4-5,11-12,16H2,1-3H3,(H,29,32).
What are the key properties of 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide?
3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide has a molecular weight of 507.62 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 166430282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).