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

C21H35N3OS — CID 75853849

IUPACN-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide
SMILESCc1nc(SC(C)C(=O)N(C)C2CCCCC2)n(C2CCCCC2)c1C
InChIInChI=1S/C21H35N3OS/c1-15-16(2)24(19-13-9-6-10-14-19)21(22-15)26-17(3)20(25)23(4)18-11-7-5-8-12-18/h17-19H,5-14H2,1-4H3
InChIKeyUXMAIJLKLGHBSW-UHFFFAOYSA-N
MW377.60 g/mol
LogP5.28
Rot. Bonds5

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

N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide (PubChem CID 75853849) has the molecular formula C21H35N3OS and a molecular weight of 377.60 g/mol. Its IUPAC name is N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide
PubChem CID75853849
Molecular FormulaC21H35N3OS
Molecular Weight377.60 g/mol
Exact Mass377.25
IUPAC NameN-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide
SMILESCc1nc(SC(C)C(=O)N(C)C2CCCCC2)n(C2CCCCC2)c1C
InChIInChI=1S/C21H35N3OS/c1-15-16(2)24(19-13-9-6-10-14-19)21(22-15)26-17(3)20(25)23(4)18-11-7-5-8-12-18/h17-19H,5-14H2,1-4H3
InChIKeyUXMAIJLKLGHBSW-UHFFFAOYSA-N
XLogP5.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.60
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide?
The IUPAC name of N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide (CID 75853849) is N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide?
The canonical SMILES for N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide is Cc1nc(SC(C)C(=O)N(C)C2CCCCC2)n(C2CCCCC2)c1C.
What is the InChIKey of N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide?
The InChIKey is UXMAIJLKLGHBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3OS/c1-15-16(2)24(19-13-9-6-10-14-19)21(22-15)26-17(3)20(25)23(4)18-11-7-5-8-12-18/h17-19H,5-14H2,1-4H3.
What are the key properties of N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide?
N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide has a molecular weight of 377.60 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 75853849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).