N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide

C17H18ClNO2S — CID 7509869

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CS[C@@H](C)c1ccccc1
InChIInChI=1S/C17H18ClNO2S/c1-12(13-6-4-3-5-7-13)22-11-17(20)19-15-10-14(18)8-9-16(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyVWBCKJMYVZQZOP-LBPRGKRZSA-N
MW335.86 g/mol
LogP4.78
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide (PubChem CID 7509869) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
PubChem CID7509869
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CS[C@@H](C)c1ccccc1
InChIInChI=1S/C17H18ClNO2S/c1-12(13-6-4-3-5-7-13)22-11-17(20)19-15-10-14(18)8-9-16(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyVWBCKJMYVZQZOP-LBPRGKRZSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705878
4-chloro-2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid
CID 17341374
2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 105352698
3-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64914076
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 7830809
N-(5-chloro-2-methoxyphenyl)-2-phenylpentanamide
CID 18169494
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
N-(5-chloro-2-methoxyphenyl)-2-(3-phenylprop-2-enylsulfanyl)acetamide
CID 4852447
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium
CID 9248126

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide (CID 7509869) is N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CS[C@@H](C)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide?
The InChIKey is VWBCKJMYVZQZOP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-12(13-6-4-3-5-7-13)22-11-17(20)19-15-10-14(18)8-9-16(15)21-2/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide has a molecular weight of 335.86 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide is sourced from PubChem (CID 7509869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).