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

C16H17NO2S — CID 875705

IUPAC(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@H](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)/t12-/m0/s1
InChIKeyJBFGLULUHDSKTC-LBPRGKRZSA-N
MW287.38 g/mol
LogP3.81
Rot. Bonds5

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

(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide (PubChem CID 875705) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
PubChem CID875705
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@H](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)/t12-/m0/s1
InChIKeyJBFGLULUHDSKTC-LBPRGKRZSA-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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Related Compounds

(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 9432906
2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 19059132
(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 94011837
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide
CID 132652304

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide (CID 875705) is (2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide is COc1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is JBFGLULUHDSKTC-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide?
(2S)-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 (2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 875705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).