[3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate

C25H26N2O6S — CID 1250260

IUPAC[3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cccc(NC(=O)c3cccc(OC)c3)c2)c1
InChIInChI=1S/C25H26N2O6S/c1-4-27(5-2)34(30,31)23-14-7-10-19(16-23)25(29)33-22-13-8-11-20(17-22)26-24(28)18-9-6-12-21(15-18)32-3/h6-17H,4-5H2,1-3H3,(H,26,28)
InChIKeyZGXFJQKHQZGOJP-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.20
Rot. Bonds9

About [3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate

[3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate (PubChem CID 1250260) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is [3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate
PubChem CID1250260
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name[3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cccc(NC(=O)c3cccc(OC)c3)c2)c1
InChIInChI=1S/C25H26N2O6S/c1-4-27(5-2)34(30,31)23-14-7-10-19(16-23)25(29)33-22-13-8-11-20(17-22)26-24(28)18-9-6-12-21(15-18)32-3/h6-17H,4-5H2,1-3H3,(H,26,28)
InChIKeyZGXFJQKHQZGOJP-UHFFFAOYSA-N
XLogP4.20
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate
CID 8753259
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide
CID 8960845
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
N-[4-(diethylsulfamoyl)phenyl]-3-ethoxybenzamide
CID 4957423

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate?
The IUPAC name of [3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate (CID 1250260) is [3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for [3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cccc(NC(=O)c3cccc(OC)c3)c2)c1.
What is the InChIKey of [3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate?
The InChIKey is ZGXFJQKHQZGOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-4-27(5-2)34(30,31)23-14-7-10-19(16-23)25(29)33-22-13-8-11-20(17-22)26-24(28)18-9-6-12-21(15-18)32-3/h6-17H,4-5H2,1-3H3,(H,26,28).
What are the key properties of [3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate?
[3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate has a molecular weight of 482.56 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 1250260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).