ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate

C21H23NO6S — CID 7312224

IUPACethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate
SMILESCCCc1oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2c1C(=O)OCC
InChIInChI=1S/C21H23NO6S/c1-4-6-19-20(21(23)27-5-2)17-13-14(7-12-18(17)28-19)22-29(24,25)16-10-8-15(26-3)9-11-16/h7-13,22H,4-6H2,1-3H3
InChIKeySOCRSDFUFQUFAI-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.37
Rot. Bonds8

About ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate

ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate (PubChem CID 7312224) has the molecular formula C21H23NO6S and a molecular weight of 417.48 g/mol. Its IUPAC name is ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate
PubChem CID7312224
Molecular FormulaC21H23NO6S
Molecular Weight417.48 g/mol
Exact Mass417.12
IUPAC Nameethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate
SMILESCCCc1oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2c1C(=O)OCC
InChIInChI=1S/C21H23NO6S/c1-4-6-19-20(21(23)27-5-2)17-13-14(7-12-18(17)28-19)22-29(24,25)16-10-8-15(26-3)9-11-16/h7-13,22H,4-6H2,1-3H3
InChIKeySOCRSDFUFQUFAI-UHFFFAOYSA-N
XLogP4.37
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-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

Related Compounds

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methylbenzenesulfonamide
CID 789221
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 1094884
Ethyl 5-{[(4-isopropylphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate
CID 2486239
Phenyl (3-acetyl-2-methyl-1-benzofuran-5-yl)[(4-tert-butylphenyl)sulfonyl]carbamate
CID 1183879
phenyl N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)carbamate
CID 1725261
Benzyl 2-methyl-5-{[(4-methylphenyl)sulfonyl]amino}naphtho[1,2-b]furan-3-carboxylate
CID 2486113
Methyl 2-(methoxymethyl)-5-{[(4-methylphenyl)sulfonyl]amino}-1-benzofuran-3-carboxylate
CID 2910878
Ethyl 5-{[(4-methoxyphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate
CID 9541625
Propyl 5-(4-ethoxybenzenesulfonamido)-2-methylnaphtho[1,2-B]furan-3-carboxylate
CID 15991192
5-Amino-2-benzofuransulfonamide
CID 44377611
N-[2-butyl-3-{4-[(3-amino)propoxy]benzoyl}-1-benzofuran-5-yl]methanesulfonamide
CID 10095002
Phenol-dronedarone
CID 70653166

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate (CID 7312224) is ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate is CCCc1oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2c1C(=O)OCC.
What is the InChIKey of ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate?
The InChIKey is SOCRSDFUFQUFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6S/c1-4-6-19-20(21(23)27-5-2)17-13-14(7-12-18(17)28-19)22-29(24,25)16-10-8-15(26-3)9-11-16/h7-13,22H,4-6H2,1-3H3.
What are the key properties of ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate?
ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate has a molecular weight of 417.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methoxyphenyl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 7312224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).