propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate

C25H25NO6S — CID 15991192

IUPACpropyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
SMILESCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(OCC)cc1)c1ccccc12
InChIInChI=1S/C25H25NO6S/c1-4-14-31-25(27)23-16(3)32-24-20-9-7-6-8-19(20)22(15-21(23)24)26-33(28,29)18-12-10-17(11-13-18)30-5-2/h6-13,15,26H,4-5,14H2,1-3H3
InChIKeyDMDUZCUMKUNJTL-UHFFFAOYSA-N
MW467.54 g/mol
LogP5.66
Rot. Bonds8

About propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate

propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate (PubChem CID 15991192) has the molecular formula C25H25NO6S and a molecular weight of 467.54 g/mol. Its IUPAC name is propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Namepropyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
PubChem CID15991192
Molecular FormulaC25H25NO6S
Molecular Weight467.54 g/mol
Exact Mass467.14
IUPAC Namepropyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
SMILESCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(OCC)cc1)c1ccccc12
InChIInChI=1S/C25H25NO6S/c1-4-14-31-25(27)23-16(3)32-24-20-9-7-6-8-19(20)22(15-21(23)24)26-33(28,29)18-12-10-17(11-13-18)30-5-2/h6-13,15,26H,4-5,14H2,1-3H3
InChIKeyDMDUZCUMKUNJTL-UHFFFAOYSA-N
XLogP5.66
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-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 propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate (CID 15991192) is propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate is CCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(OCC)cc1)c1ccccc12.
What is the InChIKey of propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate?
The InChIKey is DMDUZCUMKUNJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6S/c1-4-14-31-25(27)23-16(3)32-24-20-9-7-6-8-19(20)22(15-21(23)24)26-33(28,29)18-12-10-17(11-13-18)30-5-2/h6-13,15,26H,4-5,14H2,1-3H3.
What are the key properties of propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate?
propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate has a molecular weight of 467.54 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 15991192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).