4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide

C25H26N2O7S — CID 24564644

IUPAC4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)cc1
InChIInChI=1S/C25H26N2O7S/c1-3-34-18-10-8-17(9-11-18)22(28)14-15-25(30)26-21-16-19(12-13-23(21)29)35(31,32)27-20-6-4-5-7-24(20)33-2/h4-13,16,27,29H,3,14-15H2,1-2H3,(H,26,30)
InChIKeyNIHGUSARRDBYKC-UHFFFAOYSA-N
MW498.56 g/mol
LogP4.20
Rot. Bonds11

About 4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide

4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide (PubChem CID 24564644) has the molecular formula C25H26N2O7S and a molecular weight of 498.56 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
PubChem CID24564644
Molecular FormulaC25H26N2O7S
Molecular Weight498.56 g/mol
Exact Mass498.15
IUPAC Name4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)cc1
InChIInChI=1S/C25H26N2O7S/c1-3-34-18-10-8-17(9-11-18)22(28)14-15-25(30)26-21-16-19(12-13-23(21)29)35(31,32)27-20-6-4-5-7-24(20)33-2/h4-13,16,27,29H,3,14-15H2,1-2H3,(H,26,30)
InChIKeyNIHGUSARRDBYKC-UHFFFAOYSA-N
XLogP4.20
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.20
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
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide
CID 24635935
N-[5-[[2-(4-ethoxyphenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 17426332
2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43052028
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 55629222
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 4963340
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
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide (CID 24564644) is 4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide?
The InChIKey is NIHGUSARRDBYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O7S/c1-3-34-18-10-8-17(9-11-18)22(28)14-15-25(30)26-21-16-19(12-13-23(21)29)35(31,32)27-20-6-4-5-7-24(20)33-2/h4-13,16,27,29H,3,14-15H2,1-2H3,(H,26,30).
What are the key properties of 4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide has a molecular weight of 498.56 g/mol, XLogP of 4.20, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide is sourced from PubChem (CID 24564644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).