(2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide

C17H18ClNO2S — CID 95599453

IUPAC(2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
SMILESC[C@@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2S/c1-13(17(20)19(2)16-9-4-3-5-10-16)22(21)12-14-7-6-8-15(18)11-14/h3-11,13H,12H2,1-2H3/t13-,22+/m0/s1
InChIKeyPRBHEAKVICIJCS-WHEQGISXSA-N
MW335.86 g/mol
LogP3.64
Rot. Bonds5

About (2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide

(2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide (PubChem CID 95599453) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
PubChem CID95599453
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
SMILESC[C@@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2S/c1-13(17(20)19(2)16-9-4-3-5-10-16)22(21)12-14-7-6-8-15(18)11-14/h3-11,13H,12H2,1-2H3/t13-,22+/m0/s1
InChIKeyPRBHEAKVICIJCS-WHEQGISXSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide
CID 95599311
(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599423
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
(2R)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95329028
(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
CID 95599519
N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide
CID 75407096
(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599447
1-(3-chlorophenyl)-2-[(3-methylphenyl)methylsulfinyl]propan-1-one
CID 64635129
1-(benzylsulfinylmethyl)-3-chlorobenzene
CID 47022757
(2R)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 95329104
N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 62228733
N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108966948

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide (CID 95599453) is (2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide is C[C@@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide?
The InChIKey is PRBHEAKVICIJCS-WHEQGISXSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-13(17(20)19(2)16-9-4-3-5-10-16)22(21)12-14-7-6-8-15(18)11-14/h3-11,13H,12H2,1-2H3/t13-,22+/m0/s1.
What are the key properties of (2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide?
(2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide has a molecular weight of 335.86 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 95599453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).