[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate

C24H22N2O8S — CID 43012374

IUPAC[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(C(=O)NC(=O)COC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1
InChIInChI=1S/C24H22N2O8S/c1-32-18-12-10-16(11-13-18)23(28)25-22(27)15-34-24(29)17-6-5-7-19(14-17)35(30,31)26-20-8-3-4-9-21(20)33-2/h3-14,26H,15H2,1-2H3,(H,25,27,28)
InChIKeyFBTQMCZCHHBZIL-UHFFFAOYSA-N
MW498.51 g/mol
LogP2.62
Rot. Bonds9

About [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate

[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 43012374) has the molecular formula C24H22N2O8S and a molecular weight of 498.51 g/mol. Its IUPAC name is [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
PubChem CID43012374
Molecular FormulaC24H22N2O8S
Molecular Weight498.51 g/mol
Exact Mass498.11
IUPAC Name[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(C(=O)NC(=O)COC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1
InChIInChI=1S/C24H22N2O8S/c1-32-18-12-10-16(11-13-18)23(28)25-22(27)15-34-24(29)17-6-5-7-19(14-17)35(30,31)26-20-8-3-4-9-21(20)33-2/h3-14,26H,15H2,1-2H3,(H,25,27,28)
InChIKeyFBTQMCZCHHBZIL-UHFFFAOYSA-N
XLogP2.62
TPSA137.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

(4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 43039121
methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate
CID 30768646
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313560
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 42969801
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42968334
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209
ethyl 4-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 3950325

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate (CID 43012374) is [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate is COc1ccc(C(=O)NC(=O)COC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1.
What is the InChIKey of [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is FBTQMCZCHHBZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O8S/c1-32-18-12-10-16(11-13-18)23(28)25-22(27)15-34-24(29)17-6-5-7-19(14-17)35(30,31)26-20-8-3-4-9-21(20)33-2/h3-14,26H,15H2,1-2H3,(H,25,27,28).
What are the key properties of [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 498.51 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 43012374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).