2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

C18H23N3OS — CID 22585440

IUPAC2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1
InChIInChI=1S/C18H23N3OS/c1-14-7-9-15(10-8-14)20-17(22)13-23-18-19-11-12-21(18)16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,20,22)
InChIKeyUMHZIQQKILBBOF-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.43
Rot. Bonds5

About 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 22585440) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID22585440
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1
InChIInChI=1S/C18H23N3OS/c1-14-7-9-15(10-8-14)20-17(22)13-23-18-19-11-12-21(18)16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,20,22)
InChIKeyUMHZIQQKILBBOF-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 47137410
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 17435516
N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585466
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22585430
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 16587926
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 27548780
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 16587969
2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585437
dimethyl 5-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate
CID 51308558

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (CID 22585440) is 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1.
What is the InChIKey of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is UMHZIQQKILBBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14-7-9-15(10-8-14)20-17(22)13-23-18-19-11-12-21(18)16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,20,22).
What are the key properties of 2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 4.43, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 22585440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).