[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate

C18H20N2O5S — CID 7984597

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-18(2,13-6-4-3-5-7-13)17(22)25-12-16(21)20-14-8-10-15(11-9-14)26(19,23)24/h3-11H,12H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyPWSGSSWWRMFFHV-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.79
Rot. Bonds6

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate (PubChem CID 7984597) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate
PubChem CID7984597
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-18(2,13-6-4-3-5-7-13)17(22)25-12-16(21)20-14-8-10-15(11-9-14)26(19,23)24/h3-11H,12H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyPWSGSSWWRMFFHV-UHFFFAOYSA-N
XLogP1.79
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 9060900
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984759
2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate
CID 8568254
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 2608529
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772394
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate
CID 7229828
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
CID 2119188
[2-oxo-2-(4-sulfamoylanilino)ethyl] but-2-enoate
CID 3457190
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568243
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 17393371
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
CID 2608393

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate (CID 7984597) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate is CC(C)(C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate?
The InChIKey is PWSGSSWWRMFFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-18(2,13-6-4-3-5-7-13)17(22)25-12-16(21)20-14-8-10-15(11-9-14)26(19,23)24/h3-11H,12H2,1-2H3,(H,20,21)(H2,19,23,24).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate has a molecular weight of 376.43 g/mol, XLogP of 1.79, 6 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-methyl-2-phenylpropanoate is sourced from PubChem (CID 7984597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).