N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide

C26H23FN2O3S2 — CID 46297414

IUPACN-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
SMILESCCc1cccc(NC(=O)c2scc(-c3cccc(F)c3)c2S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C26H23FN2O3S2/c1-3-18-9-7-12-21(15-18)28-26(30)24-25(23(17-33-24)19-10-8-11-20(27)16-19)34(31,32)29(2)22-13-5-4-6-14-22/h4-17H,3H2,1-2H3,(H,28,30)
InChIKeyXUMODNIHQUJGNB-UHFFFAOYSA-N
MW494.61 g/mol
LogP6.19
Rot. Bonds7

About N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide

N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 46297414) has the molecular formula C26H23FN2O3S2 and a molecular weight of 494.61 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
PubChem CID46297414
Molecular FormulaC26H23FN2O3S2
Molecular Weight494.61 g/mol
Exact Mass494.11
IUPAC NameN-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
SMILESCCc1cccc(NC(=O)c2scc(-c3cccc(F)c3)c2S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C26H23FN2O3S2/c1-3-18-9-7-12-21(15-18)28-26(30)24-25(23(17-33-24)19-10-8-11-20(27)16-19)34(31,32)29(2)22-13-5-4-6-14-22/h4-17H,3H2,1-2H3,(H,28,30)
InChIKeyXUMODNIHQUJGNB-UHFFFAOYSA-N
XLogP6.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.61
LogP ≤ 56.19
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
3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide
CID 46297393
N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
CID 46506918
2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide
CID 46507266
N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 53061801
N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391736
N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9299545
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849021
2-benzyl-4-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 39901427
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
4-[ethyl(methyl)sulfamoyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 6503172

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide (CID 46297414) is N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide is CCc1cccc(NC(=O)c2scc(-c3cccc(F)c3)c2S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is XUMODNIHQUJGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3S2/c1-3-18-9-7-12-21(15-18)28-26(30)24-25(23(17-33-24)19-10-8-11-20(27)16-19)34(31,32)29(2)22-13-5-4-6-14-22/h4-17H,3H2,1-2H3,(H,28,30).
What are the key properties of N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide?
N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 494.61 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 46297414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).