[2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate

C25H24N2O7S — CID 2118244

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O7S/c1-3-33-22-12-14-23(15-13-22)35(31,32)27-21-10-6-19(7-11-21)25(30)34-16-24(29)26-20-8-4-18(5-9-20)17(2)28/h4-15,27H,3,16H2,1-2H3,(H,26,29)
InChIKeyCXBKERCNMGNPQT-UHFFFAOYSA-N
MW496.54 g/mol
LogP3.88
Rot. Bonds10

About [2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate

[2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate (PubChem CID 2118244) has the molecular formula C25H24N2O7S and a molecular weight of 496.54 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
PubChem CID2118244
Molecular FormulaC25H24N2O7S
Molecular Weight496.54 g/mol
Exact Mass496.13
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O7S/c1-3-33-22-12-14-23(15-13-22)35(31,32)27-21-10-6-19(7-11-21)25(30)34-16-24(29)26-20-8-4-18(5-9-20)17(2)28/h4-15,27H,3,16H2,1-2H3,(H,26,29)
InChIKeyCXBKERCNMGNPQT-UHFFFAOYSA-N
XLogP3.88
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate with MolForge

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 2369538
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
[2-(methylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7741002
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 7680166
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
[2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7740998
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
2-(4-tert-butylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3278728
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate (CID 2118244) is [2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)cc2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The InChIKey is CXBKERCNMGNPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7S/c1-3-33-22-12-14-23(15-13-22)35(31,32)27-21-10-6-19(7-11-21)25(30)34-16-24(29)26-20-8-4-18(5-9-20)17(2)28/h4-15,27H,3,16H2,1-2H3,(H,26,29).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate?
[2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate has a molecular weight of 496.54 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2118244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).