N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide

C18H20N2O2S — CID 23889516

IUPACN-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-3-9-17(10-4-13)23-12-11-18(22)20-16-7-5-15(6-8-16)19-14(2)21/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXCZKDOGSFIJFDV-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.07
Rot. Bonds6

About N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide

N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 23889516) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID23889516
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-3-9-17(10-4-13)23-12-11-18(22)20-16-7-5-15(6-8-16)19-14(2)21/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXCZKDOGSFIJFDV-UHFFFAOYSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26800978
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23973490
N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23861664
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(4-methylphenyl)urea
CID 51179263
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 142489795
N-(4-methylphenyl)acetamide
CID 7684
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide (CID 23889516) is N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is XCZKDOGSFIJFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-3-9-17(10-4-13)23-12-11-18(22)20-16-7-5-15(6-8-16)19-14(2)21/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 328.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 23889516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).