N-(4-methoxyphenyl)-2-phenylsulfanylacetamide

C15H15NO2S — CID 532044

IUPACN-(4-methoxyphenyl)-2-phenylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C15H15NO2S/c1-18-13-9-7-12(8-10-13)16-15(17)11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,16,17)
InChIKeyQANIOCTWVUAMON-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.43
Rot. Bonds5

About N-(4-methoxyphenyl)-2-phenylsulfanylacetamide

N-(4-methoxyphenyl)-2-phenylsulfanylacetamide (PubChem CID 532044) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-phenylsulfanylacetamide
PubChem CID532044
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(4-methoxyphenyl)-2-phenylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C15H15NO2S/c1-18-13-9-7-12(8-10-13)16-15(17)11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,16,17)
InChIKeyQANIOCTWVUAMON-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-phenylsulfanylacetamide (CID 532044) is N-(4-methoxyphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-phenylsulfanylacetamide is COc1ccc(NC(=O)CSc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-phenylsulfanylacetamide?
The InChIKey is QANIOCTWVUAMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-18-13-9-7-12(8-10-13)16-15(17)11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of N-(4-methoxyphenyl)-2-phenylsulfanylacetamide?
N-(4-methoxyphenyl)-2-phenylsulfanylacetamide has a molecular weight of 273.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 532044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).