2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide

C13H15N3OS — CID 712610

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nccn2C)c1
InChIInChI=1S/C13H15N3OS/c1-10-4-3-5-11(8-10)15-12(17)9-18-13-14-6-7-16(13)2/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyOUMNICNYDJVGCT-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.46
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 712610) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID712610
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nccn2C)c1
InChIInChI=1S/C13H15N3OS/c1-10-4-3-5-11(8-10)15-12(17)9-18-13-14-6-7-16(13)2/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyOUMNICNYDJVGCT-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 581967
N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 9200888
N-(3-butoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3855458
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
N-methyl-3-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]benzamide
CID 24620396
N-(2-chloro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23847583
N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2943904
2-(1-methylimidazol-2-yl)sulfonyl-N-(3-methylphenyl)acetamide
CID 23858228
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 683122
2-[[4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 2150016

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide (CID 712610) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nccn2C)c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is OUMNICNYDJVGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10-4-3-5-11(8-10)15-12(17)9-18-13-14-6-7-16(13)2/h3-8H,9H2,1-2H3,(H,15,17).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 712610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).