2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide

C16H25N3OS — CID 18567011

IUPAC2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1nccn1C1CCCCC1)NC1CCCC1
InChIInChI=1S/C16H25N3OS/c20-15(18-13-6-4-5-7-13)12-21-16-17-10-11-19(16)14-8-2-1-3-9-14/h10-11,13-14H,1-9,12H2,(H,18,20)
InChIKeyGDLQTOLUCZKYBA-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.54
Rot. Bonds5

About 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide

2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide (PubChem CID 18567011) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide
PubChem CID18567011
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1nccn1C1CCCCC1)NC1CCCC1
InChIInChI=1S/C16H25N3OS/c20-15(18-13-6-4-5-7-13)12-21-16-17-10-11-19(16)14-8-2-1-3-9-14/h10-11,13-14H,1-9,12H2,(H,18,20)
InChIKeyGDLQTOLUCZKYBA-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide (CID 18567011) is 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide is O=C(CSc1nccn1C1CCCCC1)NC1CCCC1.
What is the InChIKey of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide?
The InChIKey is GDLQTOLUCZKYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c20-15(18-13-6-4-5-7-13)12-21-16-17-10-11-19(16)14-8-2-1-3-9-14/h10-11,13-14H,1-9,12H2,(H,18,20).
What are the key properties of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide?
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-cyclopentylacetamide has a molecular weight of 307.46 g/mol, XLogP of 3.54, 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-cyclopentylacetamide is sourced from PubChem (CID 18567011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).