2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide

C17H19NO2S — CID 52772198

IUPAC2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccccc1SCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-13(14-8-4-3-5-9-14)18-17(19)12-21-16-11-7-6-10-15(16)20-2/h3-11,13H,12H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyASXGPNRLPUXXDC-ZDUSSCGKSA-N
MW301.41 g/mol
LogP3.66
Rot. Bonds6

About 2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide

2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 52772198) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
PubChem CID52772198
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
SMILESCOc1ccccc1SCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-13(14-8-4-3-5-9-14)18-17(19)12-21-16-11-7-6-10-15(16)20-2/h3-11,13H,12H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyASXGPNRLPUXXDC-ZDUSSCGKSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
methyl 2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetate
CID 18078994
N-(2-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945965
2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 43304215
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
2-[[4-ethyl-5-[1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 43869104
2-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 42734330
N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
CID 108945872
2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 52769842
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 84884812

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide (CID 52772198) is 2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide is COc1ccccc1SCC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is ASXGPNRLPUXXDC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13(14-8-4-3-5-9-14)18-17(19)12-21-16-11-7-6-10-15(16)20-2/h3-11,13H,12H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide?
2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 52772198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).