N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C18H15F3N4O2S — CID 168786247

IUPACN-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCc1ccc(NS(=O)c2cccc(NC(=O)c3cnc(C(F)(F)F)[nH]3)c2)cc1
InChIInChI=1S/C18H15F3N4O2S/c1-11-5-7-12(8-6-11)25-28(27)14-4-2-3-13(9-14)23-16(26)15-10-22-17(24-15)18(19,20)21/h2-10,25H,1H3,(H,22,24)(H,23,26)
InChIKeyUWMUYVPEIMWFBK-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.12
Rot. Bonds5

About N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 168786247) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID168786247
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC NameN-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCc1ccc(NS(=O)c2cccc(NC(=O)c3cnc(C(F)(F)F)[nH]3)c2)cc1
InChIInChI=1S/C18H15F3N4O2S/c1-11-5-7-12(8-6-11)25-28(27)14-4-2-3-13(9-14)23-16(26)15-10-22-17(24-15)18(19,20)21/h2-10,25H,1H3,(H,22,24)(H,23,26)
InChIKeyUWMUYVPEIMWFBK-UHFFFAOYSA-N
XLogP4.12
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[(4-methylphenyl)carbamoyl]phenyl]sulfinylamino]benzoic acid
CID 143631306
N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 156859652
N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109197325
N-[3-[6-bromohexyl-(4-bromophenyl)sulfinamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 168786175
2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide
CID 110467556
2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide
CID 110467649
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide
CID 71091360
N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197509
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
2-amino-N-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxamide
CID 141271061
N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 168786275

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 168786247) is N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is Cc1ccc(NS(=O)c2cccc(NC(=O)c3cnc(C(F)(F)F)[nH]3)c2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is UWMUYVPEIMWFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-11-5-7-12(8-6-11)25-28(27)14-4-2-3-13(9-14)23-16(26)15-10-22-17(24-15)18(19,20)21/h2-10,25H,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)sulfinamoylphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 168786247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).