1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide

C20H24N2O3S — CID 22518795

IUPAC1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1
InChIInChI=1S/C20H24N2O3S/c1-14-5-7-15(8-6-14)11-12-21-26(24,25)16-9-10-18-17(13-16)20(2,3)19(23)22(18)4/h5-10,13,21H,11-12H2,1-4H3
InChIKeyOACGHMKATYJPLA-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.77
Rot. Bonds5

About 1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide

1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide (PubChem CID 22518795) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound Name1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide
PubChem CID22518795
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1
InChIInChI=1S/C20H24N2O3S/c1-14-5-7-15(8-6-14)11-12-21-26(24,25)16-9-10-18-17(13-16)20(2,3)19(23)22(18)4/h5-10,13,21H,11-12H2,1-4H3
InChIKeyOACGHMKATYJPLA-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
CID 22582606
N-[2-(1H-indazol-5-yl)ethyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
CID 166272664
N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518700
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384490
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid
CID 92863742
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
N-(2,4-dimethylphenyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901008
N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
CID 20903323
1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide
CID 20901007
4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16891081
3-fluoro-4-methoxy-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 92680028

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide?
The IUPAC name of 1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide (CID 22518795) is 1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide.
What is the SMILES notation for 1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide?
The canonical SMILES for 1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide is Cc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1.
What is the InChIKey of 1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide?
The InChIKey is OACGHMKATYJPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-5-7-15(8-6-14)11-12-21-26(24,25)16-9-10-18-17(13-16)20(2,3)19(23)22(18)4/h5-10,13,21H,11-12H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide?
1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-[2-(4-methylphenyl)ethyl]-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 22518795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).