(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide

C17H19NO2S — CID 26733753

IUPAC(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-12-9-10-16(20-3)15(11-12)18-17(19)13(2)21-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyXWVBOZQJIVVWJG-ZDUSSCGKSA-N
MW301.41 g/mol
LogP4.12
Rot. Bonds5

About (2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide

(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide (PubChem CID 26733753) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
PubChem CID26733753
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-12-9-10-16(20-3)15(11-12)18-17(19)13(2)21-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyXWVBOZQJIVVWJG-ZDUSSCGKSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 46542331
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-methylphenyl)sulfanylpropanoate
CID 8994935
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] (2S)-2-(4-methylphenyl)sulfanylpropanoate
CID 8994932
(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 92679928
N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 43104129
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 23914557
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
N-(2,5-dimethylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316847

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide (CID 26733753) is (2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide is COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccccc1.
What is the InChIKey of (2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is XWVBOZQJIVVWJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-9-10-16(20-3)15(11-12)18-17(19)13(2)21-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide?
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 301.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 26733753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).