ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate

C24H21NO5S — CID 1183867

IUPACethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12
InChIInChI=1S/C24H21NO5S/c1-3-29-24(26)22-20-15-18(25-31(27,28)19-12-9-16(2)10-13-19)11-14-21(20)30-23(22)17-7-5-4-6-8-17/h4-15,25H,3H2,1-2H3
InChIKeyMKBTVTFYTPRUQW-UHFFFAOYSA-N
MW435.50 g/mol
LogP5.39
Rot. Bonds6

About ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate

ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate (PubChem CID 1183867) has the molecular formula C24H21NO5S and a molecular weight of 435.50 g/mol. Its IUPAC name is ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate
PubChem CID1183867
Molecular FormulaC24H21NO5S
Molecular Weight435.50 g/mol
Exact Mass435.11
IUPAC Nameethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12
InChIInChI=1S/C24H21NO5S/c1-3-29-24(26)22-20-15-18(25-31(27,28)19-12-9-16(2)10-13-19)11-14-21(20)30-23(22)17-7-5-4-6-8-17/h4-15,25H,3H2,1-2H3
InChIKeyMKBTVTFYTPRUQW-UHFFFAOYSA-N
XLogP5.39
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-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 ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate (CID 1183867) is ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12.
What is the InChIKey of ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate?
The InChIKey is MKBTVTFYTPRUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5S/c1-3-29-24(26)22-20-15-18(25-31(27,28)19-12-9-16(2)10-13-19)11-14-21(20)30-23(22)17-7-5-4-6-8-17/h4-15,25H,3H2,1-2H3.
What are the key properties of ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate?
ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate has a molecular weight of 435.50 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 1183867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).