4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide

C23H24N2O3S — CID 9164348

IUPAC4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-8-6-7-11-22(17)25-29(27,28)21-14-12-20(13-15-21)23(26)24-16-18(2)19-9-4-3-5-10-19/h3-15,18,25H,16H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyQYYFFPLPWDJTQO-GOSISDBHSA-N
MW408.52 g/mol
LogP4.33
Rot. Bonds7

About 4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide

4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide (PubChem CID 9164348) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
PubChem CID9164348
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-8-6-7-11-22(17)25-29(27,28)21-14-12-20(13-15-21)23(26)24-16-18(2)19-9-4-3-5-10-19/h3-15,18,25H,16H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyQYYFFPLPWDJTQO-GOSISDBHSA-N
XLogP4.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
3-(benzenesulfonamido)-2-methyl-N-(2-phenylpropyl)benzamide
CID 133163880
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382
N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9427293
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenylpropyl)benzamide
CID 43003232
2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119199358

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide?
The IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide (CID 9164348) is 4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide.
What is the SMILES notation for 4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide?
The canonical SMILES for 4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide?
The InChIKey is QYYFFPLPWDJTQO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-8-6-7-11-22(17)25-29(27,28)21-14-12-20(13-15-21)23(26)24-16-18(2)19-9-4-3-5-10-19/h3-15,18,25H,16H2,1-2H3,(H,24,26)/t18-/m1/s1.
What are the key properties of 4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide?
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide is sourced from PubChem (CID 9164348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).