N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide

C24H26N2O7S — CID 55377881

IUPACN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OC(C)C)c(OC)c2)c1
InChIInChI=1S/C24H26N2O7S/c1-15(2)33-22-12-9-16(13-23(22)32-4)24(28)25-19-14-17(10-11-20(19)27)34(29,30)26-18-7-5-6-8-21(18)31-3/h5-15,26-27H,1-4H3,(H,25,28)
InChIKeyQGAJWJMTYCOOLO-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.25
Rot. Bonds9

About N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide

N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 55377881) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID55377881
Molecular FormulaC24H26N2O7S
Molecular Weight486.55 g/mol
Exact Mass486.15
IUPAC NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OC(C)C)c(OC)c2)c1
InChIInChI=1S/C24H26N2O7S/c1-15(2)33-22-12-9-16(13-23(22)32-4)24(28)25-19-14-17(10-11-20(19)27)34(29,30)26-18-7-5-6-8-21(18)31-3/h5-15,26-27H,1-4H3,(H,25,28)
InChIKeyQGAJWJMTYCOOLO-UHFFFAOYSA-N
XLogP4.25
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.25
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

4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
4-(dimethylamino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 35994119
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24635874
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 46683088
2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43018799
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46510189
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 24588243
3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24588283
2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43052028

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide (CID 55377881) is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide is COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OC(C)C)c(OC)c2)c1.
What is the InChIKey of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is QGAJWJMTYCOOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c1-15(2)33-22-12-9-16(13-23(22)32-4)24(28)25-19-14-17(10-11-20(19)27)34(29,30)26-18-7-5-6-8-21(18)31-3/h5-15,26-27H,1-4H3,(H,25,28).
What are the key properties of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide?
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 486.55 g/mol, XLogP of 4.25, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 55377881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).