[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate

C22H20N2O5S — CID 2119188

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O5S/c23-30(27,28)20-12-10-19(11-13-20)24-21(25)15-29-22(26)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,24,25)(H2,23,27,28)
InChIKeyKUYWUIDCETVDMS-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.73
Rot. Bonds7

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate (PubChem CID 2119188) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
PubChem CID2119188
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O5S/c23-30(27,28)20-12-10-19(11-13-20)24-21(25)15-29-22(26)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,24,25)(H2,23,27,28)
InChIKeyKUYWUIDCETVDMS-UHFFFAOYSA-N
XLogP2.73
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 4803020
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7704331
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate
CID 8589912
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
CID 61320739
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-thiophen-2-ylacetate
CID 7798869
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
CID 2608393
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703794

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate (CID 2119188) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is KUYWUIDCETVDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c23-30(27,28)20-12-10-19(11-13-20)24-21(25)15-29-22(26)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,24,25)(H2,23,27,28).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 424.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 2119188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).