[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate

C20H27ClN2O6S — CID 3623640

IUPAC[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H27ClN2O6S/c21-17-7-6-16(30(26,27)23-9-11-28-12-10-23)13-18(17)22-19(24)14-29-20(25)8-5-15-3-1-2-4-15/h6-7,13,15H,1-5,8-12,14H2,(H,22,24)
InChIKeyVKFOHGRQFDODOG-UHFFFAOYSA-N
MW458.96 g/mol
LogP2.81
Rot. Bonds8

About [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 3623640) has the molecular formula C20H27ClN2O6S and a molecular weight of 458.96 g/mol. Its IUPAC name is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID3623640
Molecular FormulaC20H27ClN2O6S
Molecular Weight458.96 g/mol
Exact Mass458.13
IUPAC Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H27ClN2O6S/c21-17-7-6-16(30(26,27)23-9-11-28-12-10-23)13-18(17)22-19(24)14-29-20(25)8-5-15-3-1-2-4-15/h6-7,13,15H,1-5,8-12,14H2,(H,22,24)
InChIKeyVKFOHGRQFDODOG-UHFFFAOYSA-N
XLogP2.81
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.96
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3992685
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide
CID 5107523
[2-[2-Chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] propanoate
CID 5223314
[2-(4-Chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4004588
[2-[2-Chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 4151535
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4282973
[2-[2-Chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 4414784
[2-[4-Chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-phenylacetate
CID 5024516
[2-[2-Chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 3629557
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 4012245
[2-(2-Chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 4061691

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 3623640) is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is VKFOHGRQFDODOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O6S/c21-17-7-6-16(30(26,27)23-9-11-28-12-10-23)13-18(17)22-19(24)14-29-20(25)8-5-15-3-1-2-4-15/h6-7,13,15H,1-5,8-12,14H2,(H,22,24).
What are the key properties of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 458.96 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 3623640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).