2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide

C24H22N2O3S — CID 2157629

IUPAC2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide
SMILESCc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O3S/c1-18-9-5-6-10-19(18)15-26-16-23(21-13-7-8-14-22(21)26)30(28,29)17-24(27)25-20-11-3-2-4-12-20/h2-14,16H,15,17H2,1H3,(H,25,27)
InChIKeyWWKFTFFKIZOGGS-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.41
Rot. Bonds6

About 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide

2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide (PubChem CID 2157629) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide
PubChem CID2157629
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide
SMILESCc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O3S/c1-18-9-5-6-10-19(18)15-26-16-23(21-13-7-8-14-22(21)26)30(28,29)17-24(27)25-20-11-3-2-4-12-20/h2-14,16H,15,17H2,1H3,(H,25,27)
InChIKeyWWKFTFFKIZOGGS-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157632
2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(1,3-thiazol-2-yl)acetamide
CID 2053134
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157618
2-[1-[(2-fluoro-3-methylphenyl)methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 148746404
2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292624
methyl 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30559177
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 20911238
N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559201
ethyl 4-[[2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetyl]amino]benzoate
CID 2157604
N-(3-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563412
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563369
N-(2-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563411

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide?
The IUPAC name of 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide (CID 2157629) is 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide?
The canonical SMILES for 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide is Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide?
The InChIKey is WWKFTFFKIZOGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-18-9-5-6-10-19(18)15-26-16-23(21-13-7-8-14-22(21)26)30(28,29)17-24(27)25-20-11-3-2-4-12-20/h2-14,16H,15,17H2,1H3,(H,25,27).
What are the key properties of 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide?
2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide has a molecular weight of 418.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide is sourced from PubChem (CID 2157629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).