2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide

C24H22N2O3S — CID 16935296

IUPAC2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O3S/c1-25(16-19-10-4-2-5-11-19)24(27)18-26-17-23(21-14-8-9-15-22(21)26)30(28,29)20-12-6-3-7-13-20/h2-15,17H,16,18H2,1H3
InChIKeyKTBHRRPZJVKLRD-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.13
Rot. Bonds6

About 2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide

2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide (PubChem CID 16935296) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
PubChem CID16935296
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O3S/c1-25(16-19-10-4-2-5-11-19)24(27)18-26-17-23(21-14-8-9-15-22(21)26)30(28,29)20-12-6-3-7-13-20/h2-15,17H,16,18H2,1H3
InChIKeyKTBHRRPZJVKLRD-UHFFFAOYSA-N
XLogP4.13
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide 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

2-[3-(benzenesulfonyl)indol-1-yl]-N,N-dibenzylacetamide
CID 16841490
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 70169296
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 16935293
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
CID 16935905
2-(3-benzylsulfonylindol-1-yl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 54589374
N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935507
2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16935299
3-(benzenesulfonyl)-1-(2-phenylethyl)indole
CID 122715418
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16935388
2-[3-(benzenesulfonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935305
2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide
CID 16935414

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide (CID 16935296) is 2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide?
The InChIKey is KTBHRRPZJVKLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-25(16-19-10-4-2-5-11-19)24(27)18-26-17-23(21-14-8-9-15-22(21)26)30(28,29)20-12-6-3-7-13-20/h2-15,17H,16,18H2,1H3.
What are the key properties of 2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide?
2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide has a molecular weight of 418.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide is sourced from PubChem (CID 16935296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).