N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide

C24H22N2O3S — CID 174891130

IUPACN-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide
SMILESCc1cc(C)cc(Cn2c(C(=O)NS(=O)(=O)c3ccccc3)cc3ccccc32)c1
InChIInChI=1S/C24H22N2O3S/c1-17-12-18(2)14-19(13-17)16-26-22-11-7-6-8-20(22)15-23(26)24(27)25-30(28,29)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyYRCHYLFUUWABMI-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.43
Rot. Bonds5

About N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide

N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide (PubChem CID 174891130) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide
PubChem CID174891130
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide
SMILESCc1cc(C)cc(Cn2c(C(=O)NS(=O)(=O)c3ccccc3)cc3ccccc32)c1
InChIInChI=1S/C24H22N2O3S/c1-17-12-18(2)14-19(13-17)16-26-22-11-7-6-8-20(22)15-23(26)24(27)25-30(28,29)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyYRCHYLFUUWABMI-UHFFFAOYSA-N
XLogP4.43
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide 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

N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251964
N-(benzenesulfonyl)-6-fluoro-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121252418
N-(benzenesulfonyl)-1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]indole-2-carboxamide
CID 175655652
1-[[4-(methylsulfamoyl)phenyl]methyl]indole-2-carboxylic acid
CID 67665431
N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251851
1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
CID 60511957
1-[(5-methyl-3-pyridinyl)methyl]indole-2-carboxylic acid
CID 102881657
N-(3-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 121252842
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
CID 11056970
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 86868998

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide (CID 174891130) is N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide is Cc1cc(C)cc(Cn2c(C(=O)NS(=O)(=O)c3ccccc3)cc3ccccc32)c1.
What is the InChIKey of N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide?
The InChIKey is YRCHYLFUUWABMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-17-12-18(2)14-19(13-17)16-26-22-11-7-6-8-20(22)15-23(26)24(27)25-30(28,29)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3,(H,25,27).
What are the key properties of N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide?
N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 174891130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).