N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

C24H25N3O6S — CID 55869875

IUPACN-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCNC(=O)c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C24H25N3O6S/c1-16-3-12-21(34(31,32)27-18-6-10-20(33-2)11-7-18)15-22(16)24(30)26-14-13-25-23(29)17-4-8-19(28)9-5-17/h3-12,15,27-28H,13-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeySDIPAUBFWJMGEE-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.67
Rot. Bonds9

About N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 55869875) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
PubChem CID55869875
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCNC(=O)c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C24H25N3O6S/c1-16-3-12-21(34(31,32)27-18-6-10-20(33-2)11-7-18)15-22(16)24(30)26-14-13-25-23(29)17-4-8-19(28)9-5-17/h3-12,15,27-28H,13-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeySDIPAUBFWJMGEE-UHFFFAOYSA-N
XLogP2.67
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396261
N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25466941
N-(3-methoxy-2-methylpropyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 47080226
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55455309
N-[(2S)-1-aminopropan-2-yl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 120505929
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (CID 55869875) is N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCNC(=O)c3ccc(O)cc3)c2)cc1.
What is the InChIKey of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is SDIPAUBFWJMGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-16-3-12-21(34(31,32)27-18-6-10-20(33-2)11-7-18)15-22(16)24(30)26-14-13-25-23(29)17-4-8-19(28)9-5-17/h3-12,15,27-28H,13-14H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 483.55 g/mol, XLogP of 2.67, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 55869875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).