N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide

C24H24N2O4S — CID 15895939

IUPACN-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-24(18-19-12-6-3-7-13-19,26(2)22(27)20-14-8-4-9-15-20)23(28)25-31(29,30)21-16-10-5-11-17-21/h3-17H,18H2,1-2H3,(H,25,28)
InChIKeyGQZRNLMXCQDFDB-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.27
Rot. Bonds7

About N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide

N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide (PubChem CID 15895939) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide
PubChem CID15895939
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-24(18-19-12-6-3-7-13-19,26(2)22(27)20-14-8-4-9-15-20)23(28)25-31(29,30)21-16-10-5-11-17-21/h3-17H,18H2,1-2H3,(H,25,28)
InChIKeyGQZRNLMXCQDFDB-UHFFFAOYSA-N
XLogP3.27
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide
CID 103308749
N-(benzenesulfonyl)-2,2-dimethyl-4-oxobutanamide
CID 91092490
N-[1-[4-[2-[tert-butyl(methyl)amino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]-N-methylbenzamide
CID 146536421
(2S)-2-[ethyl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 91206478
2-[[3-(benzenesulfonylmethyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119200849
methyl N-(benzenesulfonyl)carbamate
CID 676519
N-(1-amino-2-methylpropan-2-yl)-N-methylbenzamide
CID 82507200
1-(benzenesulfonamido)-3-ethyl-1-methylurea
CID 75524147
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809
N-(benzenesulfonyl)-4-(2,4,4-trimethylpentan-2-yl)benzamide
CID 22356861
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide?
The IUPAC name of N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide (CID 15895939) is N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide.
What is the SMILES notation for N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide?
The canonical SMILES for N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)C(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide?
The InChIKey is GQZRNLMXCQDFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-24(18-19-12-6-3-7-13-19,26(2)22(27)20-14-8-4-9-15-20)23(28)25-31(29,30)21-16-10-5-11-17-21/h3-17H,18H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide?
N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide has a molecular weight of 436.53 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 15895939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).