5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide

C25H24N2O7S — CID 24588190

IUPAC5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4OC)ccc3O)c(C)c2c1
InChIInChI=1S/C25H24N2O7S/c1-4-33-16-9-12-22-18(13-16)15(2)24(34-22)25(29)26-20-14-17(10-11-21(20)28)35(30,31)27-19-7-5-6-8-23(19)32-3/h5-14,27-28H,4H2,1-3H3,(H,26,29)
InChIKeyFIQCDCINARKHRY-UHFFFAOYSA-N
MW496.54 g/mol
LogP4.91
Rot. Bonds8

About 5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide

5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 24588190) has the molecular formula C25H24N2O7S and a molecular weight of 496.54 g/mol. Its IUPAC name is 5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID24588190
Molecular FormulaC25H24N2O7S
Molecular Weight496.54 g/mol
Exact Mass496.13
IUPAC Name5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4OC)ccc3O)c(C)c2c1
InChIInChI=1S/C25H24N2O7S/c1-4-33-16-9-12-22-18(13-16)15(2)24(34-22)25(29)26-20-14-17(10-11-21(20)28)35(30,31)27-19-7-5-6-8-23(19)32-3/h5-14,27-28H,4H2,1-3H3,(H,26,29)
InChIKeyFIQCDCINARKHRY-UHFFFAOYSA-N
XLogP4.91
TPSA127.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24588283
2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43018799
4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 24564644
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 24588243
N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55341391
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7750652
N-[5-[[2-(4-ethoxyphenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 17426332
5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55964822
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8885848
5-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31618564

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 24588190) is 5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4OC)ccc3O)c(C)c2c1.
What is the InChIKey of 5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is FIQCDCINARKHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7S/c1-4-33-16-9-12-22-18(13-16)15(2)24(34-22)25(29)26-20-14-17(10-11-21(20)28)35(30,31)27-19-7-5-6-8-23(19)32-3/h5-14,27-28H,4H2,1-3H3,(H,26,29).
What are the key properties of 5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 496.54 g/mol, XLogP of 4.91, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24588190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).