1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide

C20H24N2O3S — CID 51320229

IUPAC1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(C)Cc3ccccc3C)cc2CC1C
InChIInChI=1S/C20H24N2O3S/c1-14-7-5-6-8-17(14)13-21(4)26(24,25)19-9-10-20-18(12-19)11-15(2)22(20)16(3)23/h5-10,12,15H,11,13H2,1-4H3
InChIKeyLITYILJVETUTSC-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.11
Rot. Bonds4

About 1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 51320229) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID51320229
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(C)Cc3ccccc3C)cc2CC1C
InChIInChI=1S/C20H24N2O3S/c1-14-7-5-6-8-17(14)13-21(4)26(24,25)19-9-10-20-18(12-19)11-15(2)22(20)16(3)23/h5-10,12,15H,11,13H2,1-4H3
InChIKeyLITYILJVETUTSC-UHFFFAOYSA-N
XLogP3.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 55542300
1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 42933253
1-acetyl-N-[(3-methoxyphenyl)methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 51299193
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetic acid
CID 92863762
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20901840
1-acetyl-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901824
1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901814
2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 41051668
1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 55627848
1-acetyl-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 53086202
1-acetyl-N-(1-aminopropan-2-yl)-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119982855
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 41051661

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 51320229) is 1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)N(C)Cc3ccccc3C)cc2CC1C.
What is the InChIKey of 1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LITYILJVETUTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-7-5-6-8-17(14)13-21(4)26(24,25)19-9-10-20-18(12-19)11-15(2)22(20)16(3)23/h5-10,12,15H,11,13H2,1-4H3.
What are the key properties of 1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 51320229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).