[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate

C19H19FN2O5S — CID 55532301

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C19H19FN2O5S/c20-14-7-5-13(6-8-14)19(9-2-10-19)18(24)27-12-17(23)22-15-3-1-4-16(11-15)28(21,25)26/h1,3-8,11H,2,9-10,12H2,(H,22,23)(H2,21,25,26)
InChIKeyHISBQMRLMSAMEL-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.08
Rot. Bonds6

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate (PubChem CID 55532301) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
PubChem CID55532301
Molecular FormulaC19H19FN2O5S
Molecular Weight406.44 g/mol
Exact Mass406.10
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C19H19FN2O5S/c20-14-7-5-13(6-8-14)19(9-2-10-19)18(24)27-12-17(23)22-15-3-1-4-16(11-15)28(21,25)26/h1,3-8,11H,2,9-10,12H2,(H,22,23)(H2,21,25,26)
InChIKeyHISBQMRLMSAMEL-UHFFFAOYSA-N
XLogP2.08
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate with MolForge

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Related Compounds

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46790871
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[2-(3-methoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866395
[2-(3-cyanoanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866415
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55532600
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46790790
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2355135
[2-(4-tert-butylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2422072
[2-(4-acetylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2417695
2-(1-aminocyclobutyl)-N-(3-sulfamoylphenyl)acetamide
CID 79851568

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate (CID 55532301) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCC2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
The InChIKey is HISBQMRLMSAMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c20-14-7-5-13(6-8-14)19(9-2-10-19)18(24)27-12-17(23)22-15-3-1-4-16(11-15)28(21,25)26/h1,3-8,11H,2,9-10,12H2,(H,22,23)(H2,21,25,26).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate has a molecular weight of 406.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 55532301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).