(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C17H18ClNO2S — CID 27971654

IUPAC(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H18ClNO2S/c1-11-15(18)5-4-6-16(11)19-17(20)12(2)22-14-9-7-13(21-3)8-10-14/h4-10,12H,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyUZASTYZMRNGYFB-LBPRGKRZSA-N
MW335.86 g/mol
LogP4.78
Rot. Bonds5

About (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 27971654) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID27971654
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H18ClNO2S/c1-11-15(18)5-4-6-16(11)19-17(20)12(2)22-14-9-7-13(21-3)8-10-14/h4-10,12H,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyUZASTYZMRNGYFB-LBPRGKRZSA-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

2-(4-methoxyphenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 43908731
2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)propanamide
CID 23942539
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310309
N-[4-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 19630056
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 84919661
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 32676805
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46772610
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 94011837
N-[4-[2-(3-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methoxybenzamide
CID 21167201
methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzoate
CID 28574112
methyl 4-chloro-3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzoate
CID 43876416
(2S)-N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 2224879

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 27971654) is (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is UZASTYZMRNGYFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-11-15(18)5-4-6-16(11)19-17(20)12(2)22-14-9-7-13(21-3)8-10-14/h4-10,12H,1-3H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
(2S)-N-(3-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 (2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 27971654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).