2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide

C22H22N2O6S — CID 43018799

IUPAC2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O
InChIInChI=1S/C22H22N2O6S/c1-3-30-20-10-6-4-8-16(20)22(26)23-18-14-15(12-13-19(18)25)31(27,28)24-17-9-5-7-11-21(17)29-2/h4-14,24-25H,3H2,1-2H3,(H,23,26)
InChIKeyJNKHQBQZFQRBTH-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.85
Rot. Bonds8

About 2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide

2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 43018799) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID43018799
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O
InChIInChI=1S/C22H22N2O6S/c1-3-30-20-10-6-4-8-16(20)22(26)23-18-14-15(12-13-19(18)25)31(27,28)24-17-9-5-7-11-21(17)29-2/h4-14,24-25H,3H2,1-2H3,(H,23,26)
InChIKeyJNKHQBQZFQRBTH-UHFFFAOYSA-N
XLogP3.85
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 24588243
4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 24564644
5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 24588190
2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43052028
4-(dimethylamino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 35994119
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55377881
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55791535
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
N-(3,4-diethoxyphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26878798

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 43018799) is 2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O.
What is the InChIKey of 2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is JNKHQBQZFQRBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-3-30-20-10-6-4-8-16(20)22(26)23-18-14-15(12-13-19(18)25)31(27,28)24-17-9-5-7-11-21(17)29-2/h4-14,24-25H,3H2,1-2H3,(H,23,26).
What are the key properties of 2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 442.49 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 43018799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).