(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide

C18H21NOS — CID 39074879

IUPAC(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H21NOS/c1-14-9-11-17(12-10-14)21-15(2)18(20)19(3)13-16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3/t15-/m0/s1
InChIKeyOFDYEFSSGJFUHM-HNNXBMFYSA-N
MW299.44 g/mol
LogP4.13
Rot. Bonds5

About (2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide

(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 39074879) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is (2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID39074879
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H21NOS/c1-14-9-11-17(12-10-14)21-15(2)18(20)19(3)13-16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3/t15-/m0/s1
InChIKeyOFDYEFSSGJFUHM-HNNXBMFYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide
CID 3933523
(2R)-N-benzyl-N-methyl-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7855841
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide
CID 78768708
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide
CID 92683572
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-methylpropanamide
CID 78763589
(2S)-N-benzyl-2-(4-methylphenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135909926
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-methylpropanamide
CID 7756102
(2S)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide
CID 7363762
(2S)-N-benzyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 8723235
(2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide
CID 7363763
(2S)-N-benzyl-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8787138

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide (CID 39074879) is (2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of (2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is OFDYEFSSGJFUHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-14-9-11-17(12-10-14)21-15(2)18(20)19(3)13-16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 299.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 39074879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).