N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C14H15N3O2S — CID 677703

IUPACN-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C14H15N3O2S/c1-10(18)11-3-5-12(6-4-11)16-13(19)9-20-14-15-7-8-17(14)2/h3-8H,9H2,1-2H3,(H,16,19)
InChIKeyNGQJTOQAIKDPIQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.35
Rot. Bonds5

About N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 677703) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID677703
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C14H15N3O2S/c1-10(18)11-3-5-12(6-4-11)16-13(19)9-20-14-15-7-8-17(14)2/h3-8H,9H2,1-2H3,(H,16,19)
InChIKeyNGQJTOQAIKDPIQ-UHFFFAOYSA-N
XLogP2.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 677703) is N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is CC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is NGQJTOQAIKDPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10(18)11-3-5-12(6-4-11)16-13(19)9-20-14-15-7-8-17(14)2/h3-8H,9H2,1-2H3,(H,16,19).
What are the key properties of N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 289.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 677703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).