(2S)-2-benzylsulfonyl-N-phenylpropanamide

C16H17NO3S — CID 51983101

IUPAC(2S)-2-benzylsulfonyl-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO3S/c1-13(16(18)17-15-10-6-3-7-11-15)21(19,20)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBOYGACROGBODMV-ZDUSSCGKSA-N
MW303.38 g/mol
LogP2.63
Rot. Bonds5

About (2S)-2-benzylsulfonyl-N-phenylpropanamide

(2S)-2-benzylsulfonyl-N-phenylpropanamide (PubChem CID 51983101) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (2S)-2-benzylsulfonyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-benzylsulfonyl-N-phenylpropanamide
PubChem CID51983101
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(2S)-2-benzylsulfonyl-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO3S/c1-13(16(18)17-15-10-6-3-7-11-15)21(19,20)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBOYGACROGBODMV-ZDUSSCGKSA-N
XLogP2.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide
CID 125141054
2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
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2-(3-aminopropylsulfonyl)-N-phenylpropanamide
CID 79015099
(2S)-2-benzylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 99841181
3-benzylsulfonylbutan-2-one
CID 64644087
2-(1-anilino-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117074
(2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide
CID 51936036
N-(3-bromophenyl)-2-[(4-methylphenyl)methylsulfonyl]propanamide
CID 86926198
(2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
CID 51933875
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
2-(benzylamino)-N-phenylpropanamide
CID 4877973
3-amino-N-[3-(benzylsulfonylmethyl)phenyl]-2-methylbutanamide
CID 120501173

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylsulfonyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-benzylsulfonyl-N-phenylpropanamide (CID 51983101) is (2S)-2-benzylsulfonyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-benzylsulfonyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-benzylsulfonyl-N-phenylpropanamide is C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of (2S)-2-benzylsulfonyl-N-phenylpropanamide?
The InChIKey is BOYGACROGBODMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-13(16(18)17-15-10-6-3-7-11-15)21(19,20)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-benzylsulfonyl-N-phenylpropanamide?
(2S)-2-benzylsulfonyl-N-phenylpropanamide has a molecular weight of 303.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylsulfonyl-N-phenylpropanamide is sourced from PubChem (CID 51983101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).