N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide

C17H19NO2S — CID 15686336

IUPACN-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide
SMILESCOc1ccc(SCC(NC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-13(19)18-17(14-6-4-3-5-7-14)12-21-16-10-8-15(20-2)9-11-16/h3-11,17H,12H2,1-2H3,(H,18,19)
InChIKeyRFNSBMXSRGEPNJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.66
Rot. Bonds6

About N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide

N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide (PubChem CID 15686336) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide
PubChem CID15686336
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide
SMILESCOc1ccc(SCC(NC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-13(19)18-17(14-6-4-3-5-7-14)12-21-16-10-8-15(20-2)9-11-16/h3-11,17H,12H2,1-2H3,(H,18,19)
InChIKeyRFNSBMXSRGEPNJ-UHFFFAOYSA-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

N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-[3-hydroxy-1-(4-methoxyphenyl)-3,3-diphenylpropyl]acetamide
CID 26745
N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide
CID 130474047
N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide
CID 141414605
N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide
CID 177471445
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8565521
N-(1-phenyl-2-propylsulfanylethyl)acetamide
CID 141414603
N-(2-benzylsulfanyl-1-phenylethyl)acetamide
CID 13447277
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide (CID 15686336) is N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide is COc1ccc(SCC(NC(C)=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide?
The InChIKey is RFNSBMXSRGEPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13(19)18-17(14-6-4-3-5-7-14)12-21-16-10-8-15(20-2)9-11-16/h3-11,17H,12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide?
N-[2-(4-methoxyphenyl)sulfanyl-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 N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide is sourced from PubChem (CID 15686336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).