N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide

C17H18N2O2S — CID 18153850

IUPACN-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H18N2O2S/c1-12(20)19-14-9-7-13(8-10-14)11-18-17(21)15-5-3-4-6-16(15)22-2/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyTZBFSOUAWMBTLI-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.30
Rot. Bonds5

About N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide

N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide (PubChem CID 18153850) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
PubChem CID18153850
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H18N2O2S/c1-12(20)19-14-9-7-13(8-10-14)11-18-17(21)15-5-3-4-6-16(15)22-2/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyTZBFSOUAWMBTLI-UHFFFAOYSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide
CID 18153818
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
CID 4285450
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
N-(4-butylphenyl)-2-methylsulfanylbenzamide
CID 2228351
N-[4-(cyanomethyl)phenyl]-2-methylsulfanylbenzamide
CID 2229918
2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 2233430
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 60556371

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide (CID 18153850) is N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide?
The InChIKey is TZBFSOUAWMBTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12(20)19-14-9-7-13(8-10-14)11-18-17(21)15-5-3-4-6-16(15)22-2/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide?
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 18153850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).