N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide

C19H22N4OS — CID 17398131

IUPACN-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C19H22N4OS/c1-15-6-5-7-16(12-15)23-11-10-21-18(23)25-13-17(24)22-19(14-20)8-3-2-4-9-19/h5-7,10-12H,2-4,8-9,13H2,1H3,(H,22,24)
InChIKeyLIUOYDYMJJEABB-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.62
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 17398131) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID17398131
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C19H22N4OS/c1-15-6-5-7-16(12-15)23-11-10-21-18(23)25-13-17(24)22-19(14-20)8-3-2-4-9-19/h5-7,10-12H,2-4,8-9,13H2,1H3,(H,22,24)
InChIKeyLIUOYDYMJJEABB-UHFFFAOYSA-N
XLogP3.62
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
CID 29484884
N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30802016
N-(1-cyanocyclohexyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 29349191
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
N,N-bis(2-cyanoethyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 46806811
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507
N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 55539110
2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468590
N-(1-cyanocyclohexyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 4819525
2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide
CID 27767559
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 17398131) is N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1cccc(-n2ccnc2SCC(=O)NC2(C#N)CCCCC2)c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is LIUOYDYMJJEABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-15-6-5-7-16(12-15)23-11-10-21-18(23)25-13-17(24)22-19(14-20)8-3-2-4-9-19/h5-7,10-12H,2-4,8-9,13H2,1H3,(H,22,24).
What are the key properties of N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 354.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 17398131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).