(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide

C17H27N3OS — CID 40657072

IUPAC(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide
SMILESCc1nc(S[C@H](C)C(=O)NC2CC2)n(C2CCCCC2)c1C
InChIInChI=1S/C17H27N3OS/c1-11-12(2)20(15-7-5-4-6-8-15)17(18-11)22-13(3)16(21)19-14-9-10-14/h13-15H,4-10H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyMBMBHLBWEARARX-CYBMUJFWSA-N
MW321.49 g/mol
LogP3.76
Rot. Bonds5

About (2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide

(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide (PubChem CID 40657072) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is (2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide
PubChem CID40657072
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide
SMILESCc1nc(S[C@H](C)C(=O)NC2CC2)n(C2CCCCC2)c1C
InChIInChI=1S/C17H27N3OS/c1-11-12(2)20(15-7-5-4-6-8-15)17(18-11)22-13(3)16(21)19-14-9-10-14/h13-15H,4-10H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyMBMBHLBWEARARX-CYBMUJFWSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-ethylpropanamide
CID 40670044
(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 40670039
N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 46625671
N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide
CID 75853849
2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 40675733
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 74605508
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-(3,5-dichloro-2-pyridinyl)propanamide
CID 40633889
(2S)-N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 40672630
(2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 7492408
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41183132

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide?
The IUPAC name of (2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide (CID 40657072) is (2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide is Cc1nc(S[C@H](C)C(=O)NC2CC2)n(C2CCCCC2)c1C.
What is the InChIKey of (2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide?
The InChIKey is MBMBHLBWEARARX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-11-12(2)20(15-7-5-4-6-8-15)17(18-11)22-13(3)16(21)19-14-9-10-14/h13-15H,4-10H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide?
(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide has a molecular weight of 321.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide is sourced from PubChem (CID 40657072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).