ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate

C25H24Cl2N2O6S — CID 43905900

IUPACethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C25H24Cl2N2O6S/c1-3-34-20-10-8-19(9-11-20)29(36(32,33)21-12-5-17(26)6-13-21)16-24(30)28-18-7-14-23(27)22(15-18)25(31)35-4-2/h5-15H,3-4,16H2,1-2H3,(H,28,30)
InChIKeyFPDBGZAJOPCQSA-UHFFFAOYSA-N
MW551.45 g/mol
LogP5.40
Rot. Bonds10

About ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate

ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate (PubChem CID 43905900) has the molecular formula C25H24Cl2N2O6S and a molecular weight of 551.45 g/mol. Its IUPAC name is ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate
PubChem CID43905900
Molecular FormulaC25H24Cl2N2O6S
Molecular Weight551.45 g/mol
Exact Mass550.07
IUPAC Nameethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C25H24Cl2N2O6S/c1-3-34-20-10-8-19(9-11-20)29(36(32,33)21-12-5-17(26)6-13-21)16-24(30)28-18-7-14-23(27)22(15-18)25(31)35-4-2/h5-15H,3-4,16H2,1-2H3,(H,28,30)
InChIKeyFPDBGZAJOPCQSA-UHFFFAOYSA-N
XLogP5.40
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-chloro-5-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate
CID 99946691
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1363400
ethyl 4-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]amino]-2-chlorobenzoate
CID 92682708
N-(4-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372895
N-(4-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126385893
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,5-dichlorophenyl)acetamide
CID 21371868
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-chlorophenyl)acetamide
CID 1343150
ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]benzoate
CID 28575790
ethyl 2-chloro-5-[[2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30306211
N-(4-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 51345158
ethyl 2-chloro-4-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 28632452

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate (CID 43905900) is ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate is CCOC(=O)c1cc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate?
The InChIKey is FPDBGZAJOPCQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O6S/c1-3-34-20-10-8-19(9-11-20)29(36(32,33)21-12-5-17(26)6-13-21)16-24(30)28-18-7-14-23(27)22(15-18)25(31)35-4-2/h5-15H,3-4,16H2,1-2H3,(H,28,30).
What are the key properties of ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate?
ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate has a molecular weight of 551.45 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate is sourced from PubChem (CID 43905900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).