1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide

C24H24N2O3S — CID 52561459

IUPAC1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N(Cc3ccccc3)c3cccc(C)c3)ccc21
InChIInChI=1S/C24H24N2O3S/c1-18-7-6-10-22(15-18)26(17-20-8-4-3-5-9-20)30(28,29)23-11-12-24-21(16-23)13-14-25(24)19(2)27/h3-12,15-16H,13-14,17H2,1-2H3
InChIKeyVFYFKNDLBISFAQ-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.30
Rot. Bonds5

About 1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 52561459) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID52561459
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N(Cc3ccccc3)c3cccc(C)c3)ccc21
InChIInChI=1S/C24H24N2O3S/c1-18-7-6-10-22(15-18)26(17-20-8-4-3-5-9-20)30(28,29)23-11-12-24-21(16-23)13-14-25(24)19(2)27/h3-12,15-16H,13-14,17H2,1-2H3
InChIKeyVFYFKNDLBISFAQ-UHFFFAOYSA-N
XLogP4.30
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
CID 158402644
1-acetyl-N-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 3242578
(3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide
CID 92742806
1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110454560
1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide
CID 24510126
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide
CID 46276880
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 29410978
4-[5-[benzyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 6619736
N,N-dibenzyl-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247947
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 15997795
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide
CID 20856198
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide (CID 52561459) is 1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)N(Cc3ccccc3)c3cccc(C)c3)ccc21.
What is the InChIKey of 1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is VFYFKNDLBISFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-18-7-6-10-22(15-18)26(17-20-8-4-3-5-9-20)30(28,29)23-11-12-24-21(16-23)13-14-25(24)19(2)27/h3-12,15-16H,13-14,17H2,1-2H3.
What are the key properties of 1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 420.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 52561459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).