1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine

C38H39N3O3S — CID 158402644

IUPAC1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S.C14H15N/c1-19(27)26-15-14-22-16-23(12-13-24(22)26)30(28,29)25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h2-13,16H,14-15,17-18H2,1H3;1-10,15H,11-12H2
InChIKeyGYHGOAGHMBVOAM-UHFFFAOYSA-N
MW617.82 g/mol
LogP6.96
Rot. Bonds10

About 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine

1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine (PubChem CID 158402644) has the molecular formula C38H39N3O3S and a molecular weight of 617.82 g/mol. Its IUPAC name is 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
PubChem CID158402644
Molecular FormulaC38H39N3O3S
Molecular Weight617.82 g/mol
Exact Mass617.27
IUPAC Name1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S.C14H15N/c1-19(27)26-15-14-22-16-23(12-13-24(22)26)30(28,29)25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h2-13,16H,14-15,17-18H2,1H3;1-10,15H,11-12H2
InChIKeyGYHGOAGHMBVOAM-UHFFFAOYSA-N
XLogP6.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.82
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 52561459
1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide
CID 24510126
1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247846
N,N-dibenzyl-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247947
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192
1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
CID 20851674
1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110454560
4-[5-[benzyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 6619736
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide
CID 46276880
1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92661510

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine?
The IUPAC name of 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine (CID 158402644) is 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine.
What is the SMILES notation for 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine?
The canonical SMILES for 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine is CC(=O)N1CCc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine?
The InChIKey is GYHGOAGHMBVOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S.C14H15N/c1-19(27)26-15-14-22-16-23(12-13-24(22)26)30(28,29)25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h2-13,16H,14-15,17-18H2,1H3;1-10,15H,11-12H2.
What are the key properties of 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine?
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine has a molecular weight of 617.82 g/mol, XLogP of 6.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine is sourced from PubChem (CID 158402644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).