2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide

C18H21NO2S — CID 38567183

IUPAC2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCCSc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-21-17-11-6-5-8-15(17)14-18(20)19-12-7-13-22-16-9-3-2-4-10-16/h2-6,8-11H,7,12-14H2,1H3,(H,19,20)
InChIKeyWOWNGTNQSHKCHD-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.54
Rot. Bonds8

About 2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide

2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide (PubChem CID 38567183) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
PubChem CID38567183
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCCSc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-21-17-11-6-5-8-15(17)14-18(20)19-12-7-13-22-16-9-3-2-4-10-16/h2-6,8-11H,7,12-14H2,1H3,(H,19,20)
InChIKeyWOWNGTNQSHKCHD-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-N-(3-phenylsulfanylpropyl)benzamide
CID 38568099
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 27828609
2-(2-methoxyphenyl)-N-[3-(N-methylanilino)propyl]acetamide
CID 31103541
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
N-[3-(2-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46762989
N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide
CID 63284741
1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea
CID 33389163
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide (CID 38567183) is 2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide is COc1ccccc1CC(=O)NCCCSc1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide?
The InChIKey is WOWNGTNQSHKCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-21-17-11-6-5-8-15(17)14-18(20)19-12-7-13-22-16-9-3-2-4-10-16/h2-6,8-11H,7,12-14H2,1H3,(H,19,20).
What are the key properties of 2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide?
2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide is sourced from PubChem (CID 38567183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).