2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide

C24H22N2O3S — CID 4665843

IUPAC2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide
SMILESCS(=O)(=O)c1c(CC(=O)Nc2ccccc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H22N2O3S/c1-30(28,29)24-20-14-8-9-15-21(20)26(17-18-10-4-2-5-11-18)22(24)16-23(27)25-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,25,27)
InChIKeyUFOCQIFQYLYLLF-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.27
Rot. Bonds6

About 2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide

2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide (PubChem CID 4665843) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide
PubChem CID4665843
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide
SMILESCS(=O)(=O)c1c(CC(=O)Nc2ccccc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H22N2O3S/c1-30(28,29)24-20-14-8-9-15-21(20)26(17-18-10-4-2-5-11-18)22(24)16-23(27)25-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,25,27)
InChIKeyUFOCQIFQYLYLLF-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
CID 555263
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide
CID 46418266
2-[1-[(2-chlorophenyl)methyl]-5-fluoro-3-methylsulfonylindol-2-yl]acetic acid
CID 67856609
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 16918119
2-(2-acetamido-1-benzylindol-3-yl)acetamide
CID 57105980
2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide
CID 2157629
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20891977
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 71883645
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide (CID 4665843) is 2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide is CS(=O)(=O)c1c(CC(=O)Nc2ccccc2)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide?
The InChIKey is UFOCQIFQYLYLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-30(28,29)24-20-14-8-9-15-21(20)26(17-18-10-4-2-5-11-18)22(24)16-23(27)25-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,25,27).
What are the key properties of 2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide?
2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide has a molecular weight of 418.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-methylsulfonylindol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 4665843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).