2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide

C14H16N4O3S — CID 3042664

IUPAC2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1nccn1-c1ccccc1OC
InChIInChI=1S/C14H16N4O3S/c1-15-13(20)17-12(19)9-22-14-16-7-8-18(14)10-5-3-4-6-11(10)21-2/h3-8H,9H2,1-2H3,(H2,15,17,19,20)
InChIKeyMMYRICRXOFMMPH-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.43
Rot. Bonds5

About 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide

2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide (PubChem CID 3042664) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
PubChem CID3042664
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1nccn1-c1ccccc1OC
InChIInChI=1S/C14H16N4O3S/c1-15-13(20)17-12(19)9-22-14-16-7-8-18(14)10-5-3-4-6-11(10)21-2/h3-8H,9H2,1-2H3,(H2,15,17,19,20)
InChIKeyMMYRICRXOFMMPH-UHFFFAOYSA-N
XLogP1.43
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
CID 5275167
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
N-[(2-chlorophenyl)methyl]-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150957
N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41473059
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3674449
N-[2-(2-methoxyphenyl)ethyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40661407
N-(2,4-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16832648
2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7386575
N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
CID 30366047
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 40669999
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150946

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide (CID 3042664) is 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1nccn1-c1ccccc1OC.
What is the InChIKey of 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide?
The InChIKey is MMYRICRXOFMMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-15-13(20)17-12(19)9-22-14-16-7-8-18(14)10-5-3-4-6-11(10)21-2/h3-8H,9H2,1-2H3,(H2,15,17,19,20).
What are the key properties of 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide?
2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 3042664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).