N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

C20H24N4OS — CID 30802016

IUPACN-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc2SCC(=O)NC2(C#N)CCCCC2)cc1C
InChIInChI=1S/C20H24N4OS/c1-15-6-7-17(12-16(15)2)24-11-10-22-19(24)26-13-18(25)23-20(14-21)8-4-3-5-9-20/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,23,25)
InChIKeyUTHXGFOKNNGTMG-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.92
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 30802016) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID30802016
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc2SCC(=O)NC2(C#N)CCCCC2)cc1C
InChIInChI=1S/C20H24N4OS/c1-15-6-7-17(12-16(15)2)24-11-10-22-19(24)26-13-18(25)23-20(14-21)8-4-3-5-9-20/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,23,25)
InChIKeyUTHXGFOKNNGTMG-UHFFFAOYSA-N
XLogP3.92
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
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2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
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N-(1-cyanocycloheptyl)-2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
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N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
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2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 18161956
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide
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N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 60519612
N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
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2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 30802040
N-(1-cyanocyclohexyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 29349191
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (CID 30802016) is N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccc(-n2ccnc2SCC(=O)NC2(C#N)CCCCC2)cc1C.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is UTHXGFOKNNGTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15-6-7-17(12-16(15)2)24-11-10-22-19(24)26-13-18(25)23-20(14-21)8-4-3-5-9-20/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,23,25).
What are the key properties of N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 368.51 g/mol, XLogP of 3.92, 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-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 30802016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).