3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide

C26H23FN2O3S2 — CID 46297393

IUPAC3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C26H23FN2O3S2/c1-17-12-13-22(14-18(17)2)29(3)34(31,32)25-23(19-8-5-4-6-9-19)16-33-24(25)26(30)28-21-11-7-10-20(27)15-21/h4-16H,1-3H3,(H,28,30)
InChIKeyCFKIEFDSYLZBFN-UHFFFAOYSA-N
MW494.61 g/mol
LogP6.25
Rot. Bonds6

About 3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide

3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide (PubChem CID 46297393) has the molecular formula C26H23FN2O3S2 and a molecular weight of 494.61 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide
PubChem CID46297393
Molecular FormulaC26H23FN2O3S2
Molecular Weight494.61 g/mol
Exact Mass494.11
IUPAC Name3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C26H23FN2O3S2/c1-17-12-13-22(14-18(17)2)29(3)34(31,32)25-23(19-8-5-4-6-9-19)16-33-24(25)26(30)28-21-11-7-10-20(27)15-21/h4-16H,1-3H3,(H,28,30)
InChIKeyCFKIEFDSYLZBFN-UHFFFAOYSA-N
XLogP6.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.61
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
CID 30849373
N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 46297414
N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
CID 46506918
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
4-[ethyl(methyl)sulfamoyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 6503172
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 78792257
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
N-[4-(dimethylamino)phenyl]-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002048

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide (CID 46297393) is 3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide is Cc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)Nc2cccc(F)c2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide?
The InChIKey is CFKIEFDSYLZBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3S2/c1-17-12-13-22(14-18(17)2)29(3)34(31,32)25-23(19-8-5-4-6-9-19)16-33-24(25)26(30)28-21-11-7-10-20(27)15-21/h4-16H,1-3H3,(H,28,30).
What are the key properties of 3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide?
3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide has a molecular weight of 494.61 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 46297393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).