N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide

C18H20N2O3S — CID 46542331

IUPACN-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C18H20N2O3S/c1-12(24-15-7-5-4-6-8-15)18(22)20-14-9-10-17(23-3)16(11-14)19-13(2)21/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyZXJOJHSRJVFOOD-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.77
Rot. Bonds6

About N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide

N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide (PubChem CID 46542331) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide
PubChem CID46542331
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C18H20N2O3S/c1-12(24-15-7-5-4-6-8-15)18(22)20-14-9-10-17(23-3)16(11-14)19-13(2)21/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyZXJOJHSRJVFOOD-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753
N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide
CID 17460927
(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 92679928
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
CID 92674042
N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide
CID 119278958
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide
CID 33307064
N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119278957
N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 43104129
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-phenylsulfanylpropanoate
CID 7806467

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide (CID 46542331) is N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide is COc1ccc(NC(=O)C(C)Sc2ccccc2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is ZXJOJHSRJVFOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12(24-15-7-5-4-6-8-15)18(22)20-14-9-10-17(23-3)16(11-14)19-13(2)21/h4-12H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide?
N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 344.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 46542331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).