4-acetamido-N-(1-methylsulfanylethyl)benzamide

C12H16N2O2S — CID 118982010

IUPAC4-acetamido-N-(1-methylsulfanylethyl)benzamide
SMILESCSC(C)NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H16N2O2S/c1-8(15)13-11-6-4-10(5-7-11)12(16)14-9(2)17-3/h4-7,9H,1-3H3,(H,13,15)(H,14,16)
InChIKeyFMKCJYIEHILKAD-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.08
Rot. Bonds4

About 4-acetamido-N-(1-methylsulfanylethyl)benzamide

4-acetamido-N-(1-methylsulfanylethyl)benzamide (PubChem CID 118982010) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-acetamido-N-(1-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(1-methylsulfanylethyl)benzamide
PubChem CID118982010
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-acetamido-N-(1-methylsulfanylethyl)benzamide
SMILESCSC(C)NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H16N2O2S/c1-8(15)13-11-6-4-10(5-7-11)12(16)14-9(2)17-3/h4-7,9H,1-3H3,(H,13,15)(H,14,16)
InChIKeyFMKCJYIEHILKAD-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
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N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
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4-acetamido-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 51456710
4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide
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4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
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CID 2223178
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
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CID 78799180

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(1-methylsulfanylethyl)benzamide?
The IUPAC name of 4-acetamido-N-(1-methylsulfanylethyl)benzamide (CID 118982010) is 4-acetamido-N-(1-methylsulfanylethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(1-methylsulfanylethyl)benzamide?
The canonical SMILES for 4-acetamido-N-(1-methylsulfanylethyl)benzamide is CSC(C)NC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-(1-methylsulfanylethyl)benzamide?
The InChIKey is FMKCJYIEHILKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(15)13-11-6-4-10(5-7-11)12(16)14-9(2)17-3/h4-7,9H,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 4-acetamido-N-(1-methylsulfanylethyl)benzamide?
4-acetamido-N-(1-methylsulfanylethyl)benzamide has a molecular weight of 252.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(1-methylsulfanylethyl)benzamide is sourced from PubChem (CID 118982010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).