3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide

C25H22N2O5S2 — CID 53061856

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H22N2O5S2/c1-27(19-10-14-20(31-2)15-11-19)34(29,30)23-16-17-33-24(23)25(28)26-18-8-12-22(13-9-18)32-21-6-4-3-5-7-21/h3-17H,1-2H3,(H,26,28)
InChIKeyMPXMGHTWSNJXIM-UHFFFAOYSA-N
MW494.59 g/mol
LogP5.63
Rot. Bonds8

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide (PubChem CID 53061856) has the molecular formula C25H22N2O5S2 and a molecular weight of 494.59 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
PubChem CID53061856
Molecular FormulaC25H22N2O5S2
Molecular Weight494.59 g/mol
Exact Mass494.10
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H22N2O5S2/c1-27(19-10-14-20(31-2)15-11-19)34(29,30)23-16-17-33-24(23)25(28)26-18-8-12-22(13-9-18)32-21-6-4-3-5-7-21/h3-17H,1-2H3,(H,26,28)
InChIKeyMPXMGHTWSNJXIM-UHFFFAOYSA-N
XLogP5.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)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

Related Compounds

N-(4-bromophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061732
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061744
N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849021
N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 50928103
3-[[3-[[4-(2-methoxyethoxy)phenyl]-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 174172745
N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849036
N-(3,4-dimethoxyphenyl)-3-[methyl-(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 50928100
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-ethylthiophene-2-carboxamide
CID 53061891
N-[3-(diethylcarbamoyl)phenyl]-3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 171727981
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 95066242

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide (CID 53061856) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide is COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
The InChIKey is MPXMGHTWSNJXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5S2/c1-27(19-10-14-20(31-2)15-11-19)34(29,30)23-16-17-33-24(23)25(28)26-18-8-12-22(13-9-18)32-21-6-4-3-5-7-21/h3-17H,1-2H3,(H,26,28).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide has a molecular weight of 494.59 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 53061856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).