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

C15H18N4O2S — CID 3042659

IUPACN-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSc1nccn1-c1ccc(C)cc1
InChIInChI=1S/C15H18N4O2S/c1-3-16-14(21)18-13(20)10-22-15-17-8-9-19(15)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H2,16,18,20,21)
InChIKeySCEPEOCNBWIZEA-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.12
Rot. Bonds5

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

N-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3042659) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3042659
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSc1nccn1-c1ccc(C)cc1
InChIInChI=1S/C15H18N4O2S/c1-3-16-14(21)18-13(20)10-22-15-17-8-9-19(15)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H2,16,18,20,21)
InChIKeySCEPEOCNBWIZEA-UHFFFAOYSA-N
XLogP2.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 3042659) is N-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide is CCNC(=O)NC(=O)CSc1nccn1-c1ccc(C)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is SCEPEOCNBWIZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-16-14(21)18-13(20)10-22-15-17-8-9-19(15)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H2,16,18,20,21).
What are the key properties of N-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 318.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3042659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).