[(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate

C20H21NO5S — CID 2678270

IUPAC[(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCCC2=O)cc1
InChIInChI=1S/C20H21NO5S/c1-2-21(16-7-4-3-5-8-16)27(24,25)17-13-11-15(12-14-17)20(23)26-19-10-6-9-18(19)22/h3-5,7-8,11-14,19H,2,6,9-10H2,1H3/t19-/m0/s1
InChIKeyPLSMSIGOCPVXSD-IBGZPJMESA-N
MW387.46 g/mol
LogP3.18
Rot. Bonds6

About [(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate

[(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate (PubChem CID 2678270) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is [(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
PubChem CID2678270
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Name[(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCCC2=O)cc1
InChIInChI=1S/C20H21NO5S/c1-2-21(16-7-4-3-5-8-16)27(24,25)17-13-11-15(12-14-17)20(23)26-19-10-6-9-18(19)22/h3-5,7-8,11-14,19H,2,6,9-10H2,1H3/t19-/m0/s1
InChIKeyPLSMSIGOCPVXSD-IBGZPJMESA-N
XLogP3.18
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-oxocyclohexyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2086538
[(1S)-2-oxocyclohexyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2086537
benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328
[(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 8819135
N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide
CID 17482993
(2-oxocyclohexyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 3878096
(2-oxocycloheptyl) benzoate
CID 12723134
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 6600800
(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588211
[4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate
CID 8502968
[2-oxo-2-(propan-2-ylamino)ethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587769
(4-cyanophenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2710043

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate (CID 2678270) is [(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@H]2CCCC2=O)cc1.
What is the InChIKey of [(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate?
The InChIKey is PLSMSIGOCPVXSD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21NO5S/c1-2-21(16-7-4-3-5-8-16)27(24,25)17-13-11-15(12-14-17)20(23)26-19-10-6-9-18(19)22/h3-5,7-8,11-14,19H,2,6,9-10H2,1H3/t19-/m0/s1.
What are the key properties of [(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate?
[(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate has a molecular weight of 387.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2678270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).