ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate

C24H20N2O6S2 — CID 55414723

IUPACethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)nc1-c1ccccc1
InChIInChI=1S/C24H20N2O6S2/c1-2-31-23(28)21-20(16-9-5-3-6-10-16)25-24(33-21)26-22(27)19-14-13-17(32-19)15-34(29,30)18-11-7-4-8-12-18/h3-14H,2,15H2,1H3,(H,25,26,27)
InChIKeyNOADQLTYOSEBEI-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.81
Rot. Bonds8

About ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 55414723) has the molecular formula C24H20N2O6S2 and a molecular weight of 496.57 g/mol. Its IUPAC name is ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID55414723
Molecular FormulaC24H20N2O6S2
Molecular Weight496.57 g/mol
Exact Mass496.08
IUPAC Nameethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)nc1-c1ccccc1
InChIInChI=1S/C24H20N2O6S2/c1-2-31-23(28)21-20(16-9-5-3-6-10-16)25-24(33-21)26-22(27)19-14-13-17(32-19)15-34(29,30)18-11-7-4-8-12-18/h3-14H,2,15H2,1H3,(H,25,26,27)
InChIKeyNOADQLTYOSEBEI-UHFFFAOYSA-N
XLogP4.81
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate 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 ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate (CID 55414723) is ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is NOADQLTYOSEBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6S2/c1-2-31-23(28)21-20(16-9-5-3-6-10-16)25-24(33-21)26-22(27)19-14-13-17(32-19)15-34(29,30)18-11-7-4-8-12-18/h3-14H,2,15H2,1H3,(H,25,26,27).
What are the key properties of ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 496.57 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55414723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).