2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide

C14H23N3OS — CID 22585465

IUPAC2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nccn1C1CCCCC1
InChIInChI=1S/C14H23N3OS/c1-11(2)16-13(18)10-19-14-15-8-9-17(14)12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,18)
InChIKeyLULIIIBZFHOTDN-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.01
Rot. Bonds5

About 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide

2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 22585465) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
PubChem CID22585465
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nccn1C1CCCCC1
InChIInChI=1S/C14H23N3OS/c1-11(2)16-13(18)10-19-14-15-8-9-17(14)12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,18)
InChIKeyLULIIIBZFHOTDN-UHFFFAOYSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585437
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22585440
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 43038478
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 17454224
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 42930954
N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585466
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 42260896
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 25416887
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585470
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22585430
N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 47137410

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide (CID 22585465) is 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nccn1C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is LULIIIBZFHOTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11(2)16-13(18)10-19-14-15-8-9-17(14)12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,18).
What are the key properties of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide?
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 281.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 22585465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).