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

C18H20N2O3S — CID 33307064

IUPACN-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C18H20N2O3S/c1-13(21)19-16-12-14(8-9-17(16)23-2)20-18(22)10-11-24-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQJKSCYHKCJDFLD-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.77
Rot. Bonds7

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

N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide (PubChem CID 33307064) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide
PubChem CID33307064
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C18H20N2O3S/c1-13(21)19-16-12-14(8-9-17(16)23-2)20-18(22)10-11-24-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQJKSCYHKCJDFLD-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 46542331
N-(3-acetylphenyl)-3-phenylsulfanylpropanamide
CID 1322631
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 119419905
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 142489795
N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide
CID 7974901
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide (CID 33307064) is N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide is COc1ccc(NC(=O)CCSc2ccccc2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide?
The InChIKey is QJKSCYHKCJDFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13(21)19-16-12-14(8-9-17(16)23-2)20-18(22)10-11-24-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide?
N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide has a molecular weight of 344.44 g/mol, XLogP of 3.77, 7 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)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 33307064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).