[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C22H25FN2O5S — CID 4786273

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C22H25FN2O5S/c23-18-7-5-17(6-8-18)22(12-1-2-13-22)21(27)30-15-20(26)25-14-11-16-3-9-19(10-4-16)31(24,28)29/h3-10H,1-2,11-15H2,(H,25,26)(H2,24,28,29)
InChIKeyDPMZBMYELOTPSS-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.19
Rot. Bonds8

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 4786273) has the molecular formula C22H25FN2O5S and a molecular weight of 448.52 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID4786273
Molecular FormulaC22H25FN2O5S
Molecular Weight448.52 g/mol
Exact Mass448.15
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C22H25FN2O5S/c23-18-7-5-17(6-8-18)22(12-1-2-13-22)21(27)30-15-20(26)25-14-11-16-3-9-19(10-4-16)31(24,28)29/h3-10H,1-2,11-15H2,(H,25,26)(H2,24,28,29)
InChIKeyDPMZBMYELOTPSS-UHFFFAOYSA-N
XLogP2.19
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate
CID 2105722
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate
CID 4544737
[2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 11834464
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 3877033
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate
CID 3676655
[2-(Benzylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 4125145
[2-(Cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 5060571
[2-(Benzylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2358348
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate
CID 4842671
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16264032
[2-Oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 16261107
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
CID 2103334

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 4786273) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is DPMZBMYELOTPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O5S/c23-18-7-5-17(6-8-18)22(12-1-2-13-22)21(27)30-15-20(26)25-14-11-16-3-9-19(10-4-16)31(24,28)29/h3-10H,1-2,11-15H2,(H,25,26)(H2,24,28,29).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 448.52 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 4786273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).