N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide

C26H24N2O3S2 — CID 46506918

IUPACN-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H24N2O3S2/c1-19-13-15-22(16-14-19)28(2)33(30,31)25-23(21-11-7-4-8-12-21)18-32-24(25)26(29)27-17-20-9-5-3-6-10-20/h3-16,18H,17H2,1-2H3,(H,27,29)
InChIKeyFEHXODAKLGLJNP-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.48
Rot. Bonds7

About N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide

N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide (PubChem CID 46506918) has the molecular formula C26H24N2O3S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
PubChem CID46506918
Molecular FormulaC26H24N2O3S2
Molecular Weight476.62 g/mol
Exact Mass476.12
IUPAC NameN-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H24N2O3S2/c1-19-13-15-22(16-14-19)28(2)33(30,31)25-23(21-11-7-4-8-12-21)18-32-24(25)26(29)27-17-20-9-5-3-6-10-20/h3-16,18H,17H2,1-2H3,(H,27,29)
InChIKeyFEHXODAKLGLJNP-UHFFFAOYSA-N
XLogP5.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
CID 42585295
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-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide
CID 46297393
2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide
CID 46507266
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391674
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide (CID 46506918) is N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide is Cc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide?
The InChIKey is FEHXODAKLGLJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S2/c1-19-13-15-22(16-14-19)28(2)33(30,31)25-23(21-11-7-4-8-12-21)18-32-24(25)26(29)27-17-20-9-5-3-6-10-20/h3-16,18H,17H2,1-2H3,(H,27,29).
What are the key properties of N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide?
N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 46506918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).