N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide

C20H26ClN3OS — CID 46625671

IUPACN-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)Nc2ccccc2Cl)n(C2CCCCC2)c1C
InChIInChI=1S/C20H26ClN3OS/c1-13-14(2)24(16-9-5-4-6-10-16)20(22-13)26-15(3)19(25)23-18-12-8-7-11-17(18)21/h7-8,11-12,15-16H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyOFNBRRSLOUYCAR-UHFFFAOYSA-N
MW391.97 g/mol
LogP5.78
Rot. Bonds5

About N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide

N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide (PubChem CID 46625671) has the molecular formula C20H26ClN3OS and a molecular weight of 391.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
PubChem CID46625671
Molecular FormulaC20H26ClN3OS
Molecular Weight391.97 g/mol
Exact Mass391.15
IUPAC NameN-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)Nc2ccccc2Cl)n(C2CCCCC2)c1C
InChIInChI=1S/C20H26ClN3OS/c1-13-14(2)24(16-9-5-4-6-10-16)20(22-13)26-15(3)19(25)23-18-12-8-7-11-17(18)21/h7-8,11-12,15-16H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyOFNBRRSLOUYCAR-UHFFFAOYSA-N
XLogP5.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.97
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 7492408
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 74605508
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 40633889
(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide
CID 40657072
N-(3-chloro-4-cyanophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 24500003
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 41190766
N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 45354140
(2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 7492295
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41183132
(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-ethylpropanamide
CID 40670044
(2S)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 40938120
(2S)-N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 40672630

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide (CID 46625671) is N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide is Cc1nc(SC(C)C(=O)Nc2ccccc2Cl)n(C2CCCCC2)c1C.
What is the InChIKey of N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is OFNBRRSLOUYCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3OS/c1-13-14(2)24(16-9-5-4-6-10-16)20(22-13)26-15(3)19(25)23-18-12-8-7-11-17(18)21/h7-8,11-12,15-16H,4-6,9-10H2,1-3H3,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 391.97 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 46625671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).