ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate

C26H22N2O5S2 — CID 121040693

IUPACethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C26H22N2O5S2/c1-2-33-26(30)24-22(17-23(34-24)18-11-5-3-6-12-18)27-25(29)20-15-9-10-16-21(20)28-35(31,32)19-13-7-4-8-14-19/h3-17,28H,2H2,1H3,(H,27,29)
InChIKeyMFMYQUKHGFIZRT-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.64
Rot. Bonds8

About ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate

ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate (PubChem CID 121040693) has the molecular formula C26H22N2O5S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
PubChem CID121040693
Molecular FormulaC26H22N2O5S2
Molecular Weight506.61 g/mol
Exact Mass506.10
IUPAC Nameethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C26H22N2O5S2/c1-2-33-26(30)24-22(17-23(34-24)18-11-5-3-6-12-18)27-25(29)20-15-9-10-16-21(20)28-35(31,32)19-13-7-4-8-14-19/h3-17,28H,2H2,1H3,(H,27,29)
InChIKeyMFMYQUKHGFIZRT-UHFFFAOYSA-N
XLogP5.64
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[2-(benzenesulfonamido)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
methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 3268360
ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121043595
ethyl 3-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 41154223
diethyl 5-[[2-(benzenesulfonamido)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 121040692
ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
CID 92679847
ethyl 2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 121041079
2-O-[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504581
diethyl 5-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 121041096
ethyl 3-[(4-ethylsulfanylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 41044376
ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate
CID 16837962
ethyl 5-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate
CID 2327272

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate (CID 121040693) is ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The InChIKey is MFMYQUKHGFIZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5S2/c1-2-33-26(30)24-22(17-23(34-24)18-11-5-3-6-12-18)27-25(29)20-15-9-10-16-21(20)28-35(31,32)19-13-7-4-8-14-19/h3-17,28H,2H2,1H3,(H,27,29).
What are the key properties of ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate has a molecular weight of 506.61 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 121040693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).