(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide

C17H18ClNO2S — CID 6546874

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)Sc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-12(22-15-9-7-14(18)8-10-15)17(20)19-11-13-5-3-4-6-16(13)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyTUELMJUVFRQJIR-LBPRGKRZSA-N
MW335.86 g/mol
LogP4.15
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 6546874) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID6546874
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)Sc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-12(22-15-9-7-14(18)8-10-15)17(20)19-11-13-5-3-4-6-16(13)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyTUELMJUVFRQJIR-LBPRGKRZSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92676037
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540065
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 55669732
N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 51234035
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-phenylsulfanylpropanoate
CID 55422649
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 38007237
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 100746008
2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 133162697

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide (CID 6546874) is (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)[C@H](C)Sc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is TUELMJUVFRQJIR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-12(22-15-9-7-14(18)8-10-15)17(20)19-11-13-5-3-4-6-16(13)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 335.86 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 6546874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).