methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate

C26H22N2O5S2 — CID 3268360

IUPACmethyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H22N2O5S2/c1-17-12-14-19(15-13-17)35(31,32)28-21-11-7-6-10-20(21)25(29)27-22-16-23(18-8-4-3-5-9-18)34-24(22)26(30)33-2/h3-16,28H,1-2H3,(H,27,29)
InChIKeyNSLUVBWFUJQYCP-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.56
Rot. Bonds7

About methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate

methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate (PubChem CID 3268360) has the molecular formula C26H22N2O5S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate
PubChem CID3268360
Molecular FormulaC26H22N2O5S2
Molecular Weight506.61 g/mol
Exact Mass506.10
IUPAC Namemethyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H22N2O5S2/c1-17-12-14-19(15-13-17)35(31,32)28-21-11-7-6-10-20(21)25(29)27-22-16-23(18-8-4-3-5-9-18)34-24(22)26(30)33-2/h3-16,28H,1-2H3,(H,27,29)
InChIKeyNSLUVBWFUJQYCP-UHFFFAOYSA-N
XLogP5.56
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate 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

methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121040700
ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121040693
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
methyl 3-[(4-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565786
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121043595
2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide
CID 70789372
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
ethyl 3-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 41154223
2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-oxazol-2-yl)benzamide
CID 70789374

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate (CID 3268360) is methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate is COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The InChIKey is NSLUVBWFUJQYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5S2/c1-17-12-14-19(15-13-17)35(31,32)28-21-11-7-6-10-20(21)25(29)27-22-16-23(18-8-4-3-5-9-18)34-24(22)26(30)33-2/h3-16,28H,1-2H3,(H,27,29).
What are the key properties of methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate?
methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate has a molecular weight of 506.61 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 3268360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).