(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C17H18ClNO2S — CID 32676805

IUPAC(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C17H18ClNO2S/c1-11-10-13(18)4-9-16(11)19-17(20)12(2)22-15-7-5-14(21-3)6-8-15/h4-10,12H,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyPRWGVEATADUNSC-GFCCVEGCSA-N
MW335.86 g/mol
LogP4.78
Rot. Bonds5

About (2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 32676805) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID32676805
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C17H18ClNO2S/c1-11-10-13(18)4-9-16(11)19-17(20)12(2)22-15-7-5-14(21-3)6-8-15/h4-10,12H,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyPRWGVEATADUNSC-GFCCVEGCSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43906041
methyl 2-[4-[2-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylphenoxy]acetate
CID 55915988
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 84919661
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 9063439
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
(2R)-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 92681887
N-[3-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18903534
N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 134008118
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9398153

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 32676805) is (2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1.
What is the InChIKey of (2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is PRWGVEATADUNSC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-11-10-13(18)4-9-16(11)19-17(20)12(2)22-15-7-5-14(21-3)6-8-15/h4-10,12H,1-3H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 335.86 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 32676805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).