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

C14H16N4O2S — CID 6472913

IUPACN-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C14H16N4O2S/c1-10(19)16-11-3-5-12(6-4-11)17-13(20)9-21-14-15-7-8-18(14)2/h3-8H,9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyLEKMXYUSALFBHX-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.11
Rot. Bonds5

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

N-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 6472913) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID6472913
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C14H16N4O2S/c1-10(19)16-11-3-5-12(6-4-11)17-13(20)9-21-14-15-7-8-18(14)2/h3-8H,9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyLEKMXYUSALFBHX-UHFFFAOYSA-N
XLogP2.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 6472913) is N-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2nccn2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is LEKMXYUSALFBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-10(19)16-11-3-5-12(6-4-11)17-13(20)9-21-14-15-7-8-18(14)2/h3-8H,9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 304.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 6472913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).