N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C22H23F3N4O4S — CID 156859652

IUPACN-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C(F)(F)F)[nH]2)cc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H23F3N4O4S/c1-21(2,3)13-5-7-14(8-6-13)29-34(31,32)18-11-15(9-10-17(18)33-4)27-19(30)16-12-26-20(28-16)22(23,24)25/h5-12,29H,1-4H3,(H,26,28)(H,27,30)
InChIKeyULIHCXHRSVEIOK-UHFFFAOYSA-N
MW496.51 g/mol
LogP4.79
Rot. Bonds6

About N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 156859652) has the molecular formula C22H23F3N4O4S and a molecular weight of 496.51 g/mol. Its IUPAC name is N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID156859652
Molecular FormulaC22H23F3N4O4S
Molecular Weight496.51 g/mol
Exact Mass496.14
IUPAC NameN-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C(F)(F)F)[nH]2)cc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H23F3N4O4S/c1-21(2,3)13-5-7-14(8-6-13)29-34(31,32)18-11-15(9-10-17(18)33-4)27-19(30)16-12-26-20(28-16)22(23,24)25/h5-12,29H,1-4H3,(H,26,28)(H,27,30)
InChIKeyULIHCXHRSVEIOK-UHFFFAOYSA-N
XLogP4.79
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-methylphenyl)-1H-imidazole-5-carboxamide
CID 156860021
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 34081551
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide
CID 168786238
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide
CID 156859929
3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 156859652) is N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is COc1ccc(NC(=O)c2cnc(C(F)(F)F)[nH]2)cc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is ULIHCXHRSVEIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4S/c1-21(2,3)13-5-7-14(8-6-13)29-34(31,32)18-11-15(9-10-17(18)33-4)27-19(30)16-12-26-20(28-16)22(23,24)25/h5-12,29H,1-4H3,(H,26,28)(H,27,30).
What are the key properties of N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 496.51 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-tert-butylphenyl)sulfamoyl]-4-methoxyphenyl]-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156859652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).