3-methylsulfonyl-N-(2-phenylpropyl)benzamide

C17H19NO3S — CID 42894359

IUPAC3-methylsulfonyl-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(14-7-4-3-5-8-14)12-18-17(19)15-9-6-10-16(11-15)22(2,20)21/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyPJXMQBGNSYRBFG-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.62
Rot. Bonds5

About 3-methylsulfonyl-N-(2-phenylpropyl)benzamide

3-methylsulfonyl-N-(2-phenylpropyl)benzamide (PubChem CID 42894359) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-phenylpropyl)benzamide
PubChem CID42894359
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name3-methylsulfonyl-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(14-7-4-3-5-8-14)12-18-17(19)15-9-6-10-16(11-15)22(2,20)21/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyPJXMQBGNSYRBFG-UHFFFAOYSA-N
XLogP2.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromopropyl)-3-methylsulfonylbenzamide
CID 114308747
3-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 81063437
N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide
CID 26881037
3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9302470
N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186
N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride
CID 120832243
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenylpropyl)benzamide
CID 43010790
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride
CID 119526864
2-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 80537996
methyl 2-iodo-3-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 103493340

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-phenylpropyl)benzamide?
The IUPAC name of 3-methylsulfonyl-N-(2-phenylpropyl)benzamide (CID 42894359) is 3-methylsulfonyl-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 3-methylsulfonyl-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of 3-methylsulfonyl-N-(2-phenylpropyl)benzamide?
The InChIKey is PJXMQBGNSYRBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13(14-7-4-3-5-8-14)12-18-17(19)15-9-6-10-16(11-15)22(2,20)21/h3-11,13H,12H2,1-2H3,(H,18,19).
What are the key properties of 3-methylsulfonyl-N-(2-phenylpropyl)benzamide?
3-methylsulfonyl-N-(2-phenylpropyl)benzamide has a molecular weight of 317.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 42894359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).