ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate

C25H26N2O6S — CID 22304964

IUPACethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNc2ccccc2S(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H26N2O6S/c1-3-32-20-13-15-21(16-14-20)34(30,31)23-8-6-5-7-22(23)26-17-24(28)27-19-11-9-18(10-12-19)25(29)33-4-2/h5-16,26H,3-4,17H2,1-2H3,(H,27,28)
InChIKeyNAQOGVXJOGQQNW-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.15
Rot. Bonds10

About ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate

ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate (PubChem CID 22304964) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate
PubChem CID22304964
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Nameethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNc2ccccc2S(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H26N2O6S/c1-3-32-20-13-15-21(16-14-20)34(30,31)23-8-6-5-7-22(23)26-17-24(28)27-19-11-9-18(10-12-19)25(29)33-4-2/h5-16,26H,3-4,17H2,1-2H3,(H,27,28)
InChIKeyNAQOGVXJOGQQNW-UHFFFAOYSA-N
XLogP4.15
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373125
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate
CID 54817296
2-[2-(3,4-dimethoxyphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22307621
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 51178437
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 7680166
ethyl 4-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1361320
ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate
CID 109009916
ethyl 4-[[2-(2,3,4-trifluoroanilino)acetyl]amino]benzoate
CID 30717065
2-(2-ethoxyanilino)-N-(4-methoxyphenyl)acetamide
CID 26438880

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate (CID 22304964) is ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CNc2ccccc2S(=O)(=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate?
The InChIKey is NAQOGVXJOGQQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-3-32-20-13-15-21(16-14-20)34(30,31)23-8-6-5-7-22(23)26-17-24(28)27-19-11-9-18(10-12-19)25(29)33-4-2/h5-16,26H,3-4,17H2,1-2H3,(H,27,28).
What are the key properties of ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate?
ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate has a molecular weight of 482.56 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate is sourced from PubChem (CID 22304964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).