N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C13H20N4O2S — CID 40529241

IUPACN-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H20N4O2S/c1-17-8-7-14-13(17)20-9-11(18)16-12(19)15-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,15,16,18,19)
InChIKeyXSNDIKCHWLPUMW-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.67
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 40529241) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID40529241
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H20N4O2S/c1-17-8-7-14-13(17)20-9-11(18)16-12(19)15-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,15,16,18,19)
InChIKeyXSNDIKCHWLPUMW-UHFFFAOYSA-N
XLogP1.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 75405791
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529252
2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 4845048
N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529209
1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 115648629
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 7845143
N-(cyclohexylcarbamoyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17439419
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441
N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7516156
N-(1-benzylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 39082571
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 40529241) is N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is XSNDIKCHWLPUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-17-8-7-14-13(17)20-9-11(18)16-12(19)15-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,15,16,18,19).
What are the key properties of N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 296.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 40529241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).