3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide

C26H24N2O6S — CID 24588283

IUPAC3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O
InChIInChI=1S/C26H24N2O6S/c1-3-34-25-15-18-9-5-4-8-17(18)14-20(25)26(30)27-22-16-19(12-13-23(22)29)35(31,32)28-21-10-6-7-11-24(21)33-2/h4-16,28-29H,3H2,1-2H3,(H,27,30)
InChIKeyVFFFZHJQZJNHTD-UHFFFAOYSA-N
MW492.55 g/mol
LogP5.01
Rot. Bonds8

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

3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide (PubChem CID 24588283) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is 3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
PubChem CID24588283
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Name3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O
InChIInChI=1S/C26H24N2O6S/c1-3-34-25-15-18-9-5-4-8-17(18)14-20(25)26(30)27-22-16-19(12-13-23(22)29)35(31,32)28-21-10-6-7-11-24(21)33-2/h4-16,28-29H,3H2,1-2H3,(H,27,30)
InChIKeyVFFFZHJQZJNHTD-UHFFFAOYSA-N
XLogP5.01
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.01
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

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
5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 24588190
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
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46510189
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-[5-[[2-(4-ethoxyphenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 17426332
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
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24635874

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of 3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide (CID 24588283) is 3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide is CCOc1cc2ccccc2cc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O.
What is the InChIKey of 3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
The InChIKey is VFFFZHJQZJNHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-3-34-25-15-18-9-5-4-8-17(18)14-20(25)26(30)27-22-16-19(12-13-23(22)29)35(31,32)28-21-10-6-7-11-24(21)33-2/h4-16,28-29H,3H2,1-2H3,(H,27,30).
What are the key properties of 3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 492.55 g/mol, XLogP of 5.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 24588283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).