N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide

C14H16N4O2S — CID 3042667

IUPACN-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCNC(=O)NC(=O)CSc1nccn1-c1ccc(C)cc1
InChIInChI=1S/C14H16N4O2S/c1-10-3-5-11(6-4-10)18-8-7-16-14(18)21-9-12(19)17-13(20)15-2/h3-8H,9H2,1-2H3,(H2,15,17,19,20)
InChIKeyCMNVKAXSKIDORQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.73
Rot. Bonds4

About N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3042667) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3042667
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCNC(=O)NC(=O)CSc1nccn1-c1ccc(C)cc1
InChIInChI=1S/C14H16N4O2S/c1-10-3-5-11(6-4-10)18-8-7-16-14(18)21-9-12(19)17-13(20)15-2/h3-8H,9H2,1-2H3,(H2,15,17,19,20)
InChIKeyCMNVKAXSKIDORQ-UHFFFAOYSA-N
XLogP1.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 3042667) is N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide is CNC(=O)NC(=O)CSc1nccn1-c1ccc(C)cc1.
What is the InChIKey of N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is CMNVKAXSKIDORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-10-3-5-11(6-4-10)18-8-7-16-14(18)21-9-12(19)17-13(20)15-2/h3-8H,9H2,1-2H3,(H2,15,17,19,20).
What are the key properties of N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 304.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3042667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).