(2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide

C17H18ClNO2S — CID 95599465

IUPAC(2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2S/c1-13(17(20)19-11-14-7-3-2-4-8-14)22(21)12-15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-,22+/m0/s1
InChIKeyWOLQPQHBFRKHEH-WHEQGISXSA-N
MW335.86 g/mol
LogP3.29
Rot. Bonds6

About (2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide

(2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide (PubChem CID 95599465) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide
PubChem CID95599465
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2S/c1-13(17(20)19-11-14-7-3-2-4-8-14)22(21)12-15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-,22+/m0/s1
InChIKeyWOLQPQHBFRKHEH-WHEQGISXSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-benzyl-2-[(S)-(2-chlorophenyl)methylsulfinyl]propanamide
CID 95599464
(2S)-N-benzyl-2-[(R)-(2-methylphenyl)methylsulfinyl]propanamide
CID 95599295
(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide
CID 95599409
(2S)-N-benzyl-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]propanamide
CID 95599579
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599468
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-benzyl-2-(2-chlorophenyl)-2-hydroxyacetamide
CID 54257135
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95331521

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide (CID 95599465) is (2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide is C[C@@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccccc1Cl.
What is the InChIKey of (2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide?
The InChIKey is WOLQPQHBFRKHEH-WHEQGISXSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-13(17(20)19-11-14-7-3-2-4-8-14)22(21)12-15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-,22+/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide?
(2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide has a molecular weight of 335.86 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide is sourced from PubChem (CID 95599465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).