N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide

C16H17NO2S — CID 2890263

IUPACN-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-12(20-15-6-4-3-5-7-15)16(18)17-13-8-10-14(19-2)11-9-13/h3-12H,1-2H3,(H,17,18)
InChIKeyJBFGLULUHDSKTC-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.81
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide (PubChem CID 2890263) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
PubChem CID2890263
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-12(20-15-6-4-3-5-7-15)16(18)17-13-8-10-14(19-2)11-9-13/h3-12H,1-2H3,(H,17,18)
InChIKeyJBFGLULUHDSKTC-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.81
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-phenylsulfanylpropanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide (CID 2890263) is N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide is COc1ccc(NC(=O)C(C)Sc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is JBFGLULUHDSKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12(20-15-6-4-3-5-7-15)16(18)17-13-8-10-14(19-2)11-9-13/h3-12H,1-2H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide?
N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 287.38 g/mol, XLogP of 3.81, 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-phenylsulfanylpropanamide is sourced from PubChem (CID 2890263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).