[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C22H25FN2O5S — CID 46790871

IUPAC[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)c1
InChIInChI=1S/C22H25FN2O5S/c1-25(2)31(28,29)19-7-5-6-18(14-19)24-20(26)15-30-21(27)22(12-3-4-13-22)16-8-10-17(23)11-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,24,26)
InChIKeyWMLJEVFKVNUDAY-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.07
Rot. Bonds7

About [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 46790871) has the molecular formula C22H25FN2O5S and a molecular weight of 448.52 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID46790871
Molecular FormulaC22H25FN2O5S
Molecular Weight448.52 g/mol
Exact Mass448.15
IUPAC Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)c1
InChIInChI=1S/C22H25FN2O5S/c1-25(2)31(28,29)19-7-5-6-18(14-19)24-20(26)15-30-21(27)22(12-3-4-13-22)16-8-10-17(23)11-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,24,26)
InChIKeyWMLJEVFKVNUDAY-UHFFFAOYSA-N
XLogP3.07
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55532301
[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-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 24531461
[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-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55532600
2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4797677
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 46790871) is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)c1.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is WMLJEVFKVNUDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O5S/c1-25(2)31(28,29)19-7-5-6-18(14-19)24-20(26)15-30-21(27)22(12-3-4-13-22)16-8-10-17(23)11-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 448.52 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 46790871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).