N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide

C22H28N4OS — CID 60519612

IUPACN-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccn1-c1ccc(C(C)C)cc1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C22H28N4OS/c1-16(2)18-7-9-19(10-8-18)26-14-13-24-21(26)28-17(3)20(27)25-22(15-23)11-5-4-6-12-22/h7-10,13-14,16-17H,4-6,11-12H2,1-3H3,(H,25,27)
InChIKeyNWEOEMAGAHAEMB-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.82
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide

N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 60519612) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID60519612
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC NameN-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccn1-c1ccc(C(C)C)cc1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C22H28N4OS/c1-16(2)18-7-9-19(10-8-18)26-14-13-24-21(26)28-17(3)20(27)25-22(15-23)11-5-4-6-12-22/h7-10,13-14,16-17H,4-6,11-12H2,1-3H3,(H,25,27)
InChIKeyNWEOEMAGAHAEMB-UHFFFAOYSA-N
XLogP4.82
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
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(2S)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide
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2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
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(2R)-N-(1-cyanocyclohexyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
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N-(1-cyanocyclohexyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide
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N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 60519612) is N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide is CC(Sc1nccn1-c1ccc(C(C)C)cc1)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is NWEOEMAGAHAEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-16(2)18-7-9-19(10-8-18)26-14-13-24-21(26)28-17(3)20(27)25-22(15-23)11-5-4-6-12-22/h7-10,13-14,16-17H,4-6,11-12H2,1-3H3,(H,25,27).
What are the key properties of N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide?
N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 396.56 g/mol, XLogP of 4.82, 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-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 60519612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).