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

C20H21FN2O5S — CID 4014176

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C20H21FN2O5S/c21-15-6-3-5-14(11-15)20(9-1-2-10-20)19(25)28-13-18(24)23-16-7-4-8-17(12-16)29(22,26)27/h3-8,11-12H,1-2,9-10,13H2,(H,23,24)(H2,22,26,27)
InChIKeyLZQUFHDMRDCHOC-UHFFFAOYSA-N
MW420.46 g/mol
LogP2.47
Rot. Bonds6

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

[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 4014176) has the molecular formula C20H21FN2O5S and a molecular weight of 420.46 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID4014176
Molecular FormulaC20H21FN2O5S
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C20H21FN2O5S/c21-15-6-3-5-14(11-15)20(9-1-2-10-20)19(25)28-13-18(24)23-16-7-4-8-17(12-16)29(22,26)27/h3-8,11-12H,1-2,9-10,13H2,(H,23,24)(H2,22,26,27)
InChIKeyLZQUFHDMRDCHOC-UHFFFAOYSA-N
XLogP2.47
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
[2-(3-Methylsulfanylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 9110341
1-(2-Fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
CID 2389343
1-(4-Fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
CID 2418189
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2433423
[2-Oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
CID 3359578
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 3910863
[2-(5-Morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 3918520
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 3976510
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 4039919
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 4131649
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4282973

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 4014176) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is LZQUFHDMRDCHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5S/c21-15-6-3-5-14(11-15)20(9-1-2-10-20)19(25)28-13-18(24)23-16-7-4-8-17(12-16)29(22,26)27/h3-8,11-12H,1-2,9-10,13H2,(H,23,24)(H2,22,26,27).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 420.46 g/mol, XLogP of 2.47, 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-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 4014176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).