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

C24H22N2O4S — CID 16935388

IUPAC2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C24H22N2O4S/c1-30-19-9-7-8-18(14-19)15-25-24(27)17-26-16-23(21-12-5-6-13-22(21)26)31(28,29)20-10-3-2-4-11-20/h2-14,16H,15,17H2,1H3,(H,25,27)
InChIKeyOVJOXMMPJSMEHH-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.80
Rot. Bonds7

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

2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 16935388) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID16935388
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C24H22N2O4S/c1-30-19-9-7-8-18(14-19)15-25-24(27)17-26-16-23(21-12-5-6-13-22(21)26)31(28,29)20-10-3-2-4-11-20/h2-14,16H,15,17H2,1H3,(H,25,27)
InChIKeyOVJOXMMPJSMEHH-UHFFFAOYSA-N
XLogP3.80
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16935809
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869323
2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16935380
2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 12005987
2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide
CID 16935414
2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
CID 16935296
4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 91309670
2-[3-(benzenesulfonyl)indol-1-yl]-N,N-dibenzylacetamide
CID 16841490
2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935594
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 16935388) is 2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)c1.
What is the InChIKey of 2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is OVJOXMMPJSMEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-30-19-9-7-8-18(14-19)15-25-24(27)17-26-16-23(21-12-5-6-13-22(21)26)31(28,29)20-10-3-2-4-11-20/h2-14,16H,15,17H2,1H3,(H,25,27).
What are the key properties of 2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 16935388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).