N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C18H23N3OS — CID 42944885

IUPACN-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCC1CCCCC1NC(=O)CSc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H23N3OS/c1-13-7-5-6-10-15(13)20-17(22)12-23-18-19-11-16(21-18)14-8-3-2-4-9-14/h2-4,8-9,11,13,15H,5-7,10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyFCGSTOQOUAXJLL-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.86
Rot. Bonds5

About N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 42944885) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID42944885
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCC1CCCCC1NC(=O)CSc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H23N3OS/c1-13-7-5-6-10-15(13)20-17(22)12-23-18-19-11-16(21-18)14-8-3-2-4-9-14/h2-4,8-9,11,13,15H,5-7,10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyFCGSTOQOUAXJLL-UHFFFAOYSA-N
XLogP3.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860090
N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7246640
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 1130303
N-[(1R,2S)-2-methylcyclohexyl]-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 136906034
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116669
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 7116672
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 39044468
2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8871074

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 42944885) is N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is CC1CCCCC1NC(=O)CSc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is FCGSTOQOUAXJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-7-5-6-10-15(13)20-17(22)12-23-18-19-11-16(21-18)14-8-3-2-4-9-14/h2-4,8-9,11,13,15H,5-7,10,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 42944885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).