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

C24H22N2O4S2 — CID 42585295

IUPACN-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H22N2O4S2/c1-17-10-12-19(13-11-17)26(2)32(28,29)23-21(18-7-4-3-5-8-18)16-31-22(23)24(27)25-15-20-9-6-14-30-20/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyZLVIRNSBJINFCQ-UHFFFAOYSA-N
MW466.58 g/mol
LogP5.07
Rot. Bonds7

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

N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide (PubChem CID 42585295) has the molecular formula C24H22N2O4S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
PubChem CID42585295
Molecular FormulaC24H22N2O4S2
Molecular Weight466.58 g/mol
Exact Mass466.10
IUPAC NameN-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H22N2O4S2/c1-17-10-12-19(13-11-17)26(2)32(28,29)23-21(18-7-4-3-5-8-18)16-31-22(23)24(27)25-15-20-9-6-14-30-20/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyZLVIRNSBJINFCQ-UHFFFAOYSA-N
XLogP5.07
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
CID 46506918
N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810576
N-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
CID 30849373
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1302890
5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50795472
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 100788465
N-(furan-2-ylmethyl)-2-[[(2S)-2-(4-methyl-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 2234210
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide
CID 46507266
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
N-(furan-2-ylmethyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947122
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide (CID 42585295) is N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide is Cc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide?
The InChIKey is ZLVIRNSBJINFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S2/c1-17-10-12-19(13-11-17)26(2)32(28,29)23-21(18-7-4-3-5-8-18)16-31-22(23)24(27)25-15-20-9-6-14-30-20/h3-14,16H,15H2,1-2H3,(H,25,27).
What are the key properties of N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide?
N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 42585295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).