N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide

C19H30N4OS — CID 51184480

IUPACN-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)NC2(C#N)CCCCC2)n(CC(C)C)c1C
InChIInChI=1S/C19H30N4OS/c1-13(2)11-23-15(4)14(3)21-18(23)25-16(5)17(24)22-19(12-20)9-7-6-8-10-19/h13,16H,6-11H2,1-5H3,(H,22,24)
InChIKeyWKXXVUBSUQGVRS-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.98
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide

N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 51184480) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID51184480
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC NameN-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)NC2(C#N)CCCCC2)n(CC(C)C)c1C
InChIInChI=1S/C19H30N4OS/c1-13(2)11-23-15(4)14(3)21-18(23)25-16(5)17(24)22-19(12-20)9-7-6-8-10-19/h13,16H,6-11H2,1-5H3,(H,22,24)
InChIKeyWKXXVUBSUQGVRS-UHFFFAOYSA-N
XLogP3.98
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1-cyanocyclohexyl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 7739620
(2S)-N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8724167
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide
CID 55538278
(2S)-N-(1-cyanocyclohexyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7168972
(2S)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 2565156
N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 60519612
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(2R)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 7879593
(2R)-N-(1-cyanocyclohexyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7816748
N-(1-cyanocyclohexyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide
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(2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide (CID 51184480) is N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide is Cc1nc(SC(C)C(=O)NC2(C#N)CCCCC2)n(CC(C)C)c1C.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is WKXXVUBSUQGVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-13(2)11-23-15(4)14(3)21-18(23)25-16(5)17(24)22-19(12-20)9-7-6-8-10-19/h13,16H,6-11H2,1-5H3,(H,22,24).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide?
N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 362.54 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 51184480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).