3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C25H23N3O3S2 — CID 42585294

IUPAC3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H23N3O3S2/c1-18-10-12-21(13-11-18)28(2)33(30,31)24-22(20-8-4-3-5-9-20)17-32-23(24)25(29)27-16-19-7-6-14-26-15-19/h3-15,17H,16H2,1-2H3,(H,27,29)
InChIKeyGETOOIVFKMDXST-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.87
Rot. Bonds7

About 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 42585294) has the molecular formula C25H23N3O3S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID42585294
Molecular FormulaC25H23N3O3S2
Molecular Weight477.61 g/mol
Exact Mass477.12
IUPAC Name3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H23N3O3S2/c1-18-10-12-21(13-11-18)28(2)33(30,31)24-22(20-8-4-3-5-9-20)17-32-23(24)25(29)27-16-19-7-6-14-26-15-19/h3-15,17H,16H2,1-2H3,(H,27,29)
InChIKeyGETOOIVFKMDXST-UHFFFAOYSA-N
XLogP4.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 42585294) is 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is Cc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is GETOOIVFKMDXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S2/c1-18-10-12-21(13-11-18)28(2)33(30,31)24-22(20-8-4-3-5-9-20)17-32-23(24)25(29)27-16-19-7-6-14-26-15-19/h3-15,17H,16H2,1-2H3,(H,27,29).
What are the key properties of 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 42585294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).