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

C18H21NO2S — CID 95599311

IUPAC(2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide
SMILESCc1ccccc1C[S@@](=O)[C@@H](C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14-9-7-8-10-16(14)13-22(21)15(2)18(20)19(3)17-11-5-4-6-12-17/h4-12,15H,13H2,1-3H3/t15-,22+/m0/s1
InChIKeyJRFANQGBFOJFAA-OYHNWAKOSA-N
MW315.44 g/mol
LogP3.30
Rot. Bonds5

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

(2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide (PubChem CID 95599311) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide
PubChem CID95599311
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide
SMILESCc1ccccc1C[S@@](=O)[C@@H](C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14-9-7-8-10-16(14)13-22(21)15(2)18(20)19(3)17-11-5-4-6-12-17/h4-12,15H,13H2,1-3H3/t15-,22+/m0/s1
InChIKeyJRFANQGBFOJFAA-OYHNWAKOSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599423
(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
CID 95599519
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599553
(2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599453
N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide
CID 75407096
(2S)-N-benzyl-2-[(R)-(2-methylphenyl)methylsulfinyl]propanamide
CID 95599295
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 6915166
4-amino-N,2-dimethyl-N-phenyl-4-sulfanylidenebutanamide
CID 82116786
N-methyl-2-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-N-phenylpropanamide
CID 118680007
(2S)-1-(2,3-dihydroindol-1-yl)-2-[(S)-(2-methylphenyl)methylsulfinyl]propan-1-one
CID 95599288
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 2519746
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide?
The IUPAC name of (2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide (CID 95599311) is (2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide.
What is the SMILES notation for (2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide?
The canonical SMILES for (2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide is Cc1ccccc1C[S@@](=O)[C@@H](C)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide?
The InChIKey is JRFANQGBFOJFAA-OYHNWAKOSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-9-7-8-10-16(14)13-22(21)15(2)18(20)19(3)17-11-5-4-6-12-17/h4-12,15H,13H2,1-3H3/t15-,22+/m0/s1.
What are the key properties of (2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide?
(2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[(R)-(2-methylphenyl)methylsulfinyl]-N-phenylpropanamide is sourced from PubChem (CID 95599311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).