3-(benzenesulfonyl)-N-benzhydrylpropanamide

C22H21NO3S — CID 17310061

IUPAC3-(benzenesulfonyl)-N-benzhydrylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO3S/c24-21(16-17-27(25,26)20-14-8-3-9-15-20)23-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,22H,16-17H2,(H,23,24)
InChIKeyDEYRZPHEOMLWIS-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.76
Rot. Bonds7

About 3-(benzenesulfonyl)-N-benzhydrylpropanamide

3-(benzenesulfonyl)-N-benzhydrylpropanamide (PubChem CID 17310061) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-benzhydrylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-benzhydrylpropanamide
PubChem CID17310061
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name3-(benzenesulfonyl)-N-benzhydrylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO3S/c24-21(16-17-27(25,26)20-14-8-3-9-15-20)23-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,22H,16-17H2,(H,23,24)
InChIKeyDEYRZPHEOMLWIS-UHFFFAOYSA-N
XLogP3.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4117512
(2R)-2-[3-(benzenesulfonyl)propanoylamino]-3-methylbutanoic acid
CID 79009473
methyl 2-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60638125
3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176264
N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 18200681
2-[3-(benzenesulfonyl)propanoylamino]-3-methoxypropanoic acid
CID 81085149
N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
CID 9295458
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide
CID 97040675
3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103851039
3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide
CID 3163450
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-benzhydrylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-benzhydrylpropanamide (CID 17310061) is 3-(benzenesulfonyl)-N-benzhydrylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-benzhydrylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-benzhydrylpropanamide is O=C(CCS(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-benzhydrylpropanamide?
The InChIKey is DEYRZPHEOMLWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c24-21(16-17-27(25,26)20-14-8-3-9-15-20)23-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,22H,16-17H2,(H,23,24).
What are the key properties of 3-(benzenesulfonyl)-N-benzhydrylpropanamide?
3-(benzenesulfonyl)-N-benzhydrylpropanamide has a molecular weight of 379.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-benzhydrylpropanamide is sourced from PubChem (CID 17310061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).