N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide

C18H16FN3OS — CID 17449995

IUPACN-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H16FN3OS/c1-2-12-4-3-5-14(10-12)21-17(23)16-11-20-18(24)22(16)15-8-6-13(19)7-9-15/h3-11H,2H2,1H3,(H,20,24)(H,21,23)
InChIKeyFYHWYPHLMPGZAG-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.49
Rot. Bonds4

About N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide

N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 17449995) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID17449995
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC NameN-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H16FN3OS/c1-2-12-4-3-5-14(10-12)21-17(23)16-11-20-18(24)22(16)15-8-6-13(19)7-9-15/h3-11H,2H2,1H3,(H,20,24)(H,21,23)
InChIKeyFYHWYPHLMPGZAG-UHFFFAOYSA-N
XLogP4.49
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 29371383
N-(4-butylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 25360228
N-(4-fluorophenyl)-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 58965126
ethyl 3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxylate
CID 71117794
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24538472
N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581176
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
N-(3-ethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 42965111
N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 43532955
N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 136665405

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 17449995) is N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide is CCc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is FYHWYPHLMPGZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-2-12-4-3-5-14(10-12)21-17(23)16-11-20-18(24)22(16)15-8-6-13(19)7-9-15/h3-11H,2H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 17449995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).