2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide

C24H22N2O3S — CID 16935414

IUPAC2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O3S/c1-2-18-10-6-8-14-21(18)25-24(27)17-26-16-23(20-13-7-9-15-22(20)26)30(28,29)19-11-4-3-5-12-19/h3-16H,2,17H2,1H3,(H,25,27)
InChIKeyRSNLOKGVYKYMNN-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.68
Rot. Bonds6

About 2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide

2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 16935414) 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-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID16935414
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O3S/c1-2-18-10-6-8-14-21(18)25-24(27)17-26-16-23(20-13-7-9-15-22(20)26)30(28,29)19-11-4-3-5-12-19/h3-16H,2,17H2,1H3,(H,25,27)
InChIKeyRSNLOKGVYKYMNN-UHFFFAOYSA-N
XLogP4.68
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16935862
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 16935480
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001
2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 16935358
2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16935380
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764
N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20869284

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide (CID 16935414) is 2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is RSNLOKGVYKYMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-2-18-10-6-8-14-21(18)25-24(27)17-26-16-23(20-13-7-9-15-22(20)26)30(28,29)19-11-4-3-5-12-19/h3-16H,2,17H2,1H3,(H,25,27).
What are the key properties of 2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide?
2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 16935414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).