ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate

C21H26N2O6S — CID 50889690

IUPACethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate
SMILESCCCOc1ccc(N(CC(=O)OCC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H26N2O6S/c1-4-14-29-19-10-8-18(9-11-19)23(15-21(25)28-5-2)30(26,27)20-12-6-17(7-13-20)22-16(3)24/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)
InChIKeyDHHMIIYTEONTJF-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.19
Rot. Bonds10

About ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate

ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate (PubChem CID 50889690) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate
PubChem CID50889690
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Nameethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate
SMILESCCCOc1ccc(N(CC(=O)OCC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H26N2O6S/c1-4-14-29-19-10-8-18(9-11-19)23(15-21(25)28-5-2)30(26,27)20-12-6-17(7-13-20)22-16(3)24/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)
InChIKeyDHHMIIYTEONTJF-UHFFFAOYSA-N
XLogP3.19
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide
CID 50889711
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate
CID 50889734
methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate
CID 50894823
methyl 2-[N-(benzenesulfonyl)-4-propoxyanilino]acetate
CID 50894913
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate
CID 50889178
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate
CID 50889406
4-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 51344975
N-(4-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372895
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482
2-(N-(4-acetamidophenyl)sulfonyl-4-ethylanilino)acetamide
CID 50889396
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate?
The IUPAC name of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate (CID 50889690) is ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate?
The canonical SMILES for ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate is CCCOc1ccc(N(CC(=O)OCC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate?
The InChIKey is DHHMIIYTEONTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-4-14-29-19-10-8-18(9-11-19)23(15-21(25)28-5-2)30(26,27)20-12-6-17(7-13-20)22-16(3)24/h6-13H,4-5,14-15H2,1-3H3,(H,22,24).
What are the key properties of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate?
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate has a molecular weight of 434.51 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate is sourced from PubChem (CID 50889690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).