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

C21H30N2O6S — CID 3947818

IUPAC[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H30N2O6S/c1-16-6-8-18(14-19(16)30(26,27)23-10-12-28-13-11-23)22-20(24)15-29-21(25)9-7-17-4-2-3-5-17/h6,8,14,17H,2-5,7,9-13,15H2,1H3,(H,22,24)
InChIKeyZACKQSRSPGOFMY-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.47
Rot. Bonds8

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

[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 3947818) has the molecular formula C21H30N2O6S and a molecular weight of 438.55 g/mol. Its IUPAC name is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID3947818
Molecular FormulaC21H30N2O6S
Molecular Weight438.55 g/mol
Exact Mass438.18
IUPAC Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H30N2O6S/c1-16-6-8-18(14-19(16)30(26,27)23-10-12-28-13-11-23)22-20(24)15-29-21(25)9-7-17-4-2-3-5-17/h6,8,14,17H,2-5,7,9-13,15H2,1H3,(H,22,24)
InChIKeyZACKQSRSPGOFMY-UHFFFAOYSA-N
XLogP2.47
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2433423
[2-(4-Methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 2999502
[2-Oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
CID 3359578
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 3976510
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4282973
[2-(4-Methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4802286
[2-(5-Morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenylacetate
CID 5110382
[2-[3-(Dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate
CID 5183111
[2-[3-(Dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 5206389

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 3947818) is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is Cc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is ZACKQSRSPGOFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O6S/c1-16-6-8-18(14-19(16)30(26,27)23-10-12-28-13-11-23)22-20(24)15-29-21(25)9-7-17-4-2-3-5-17/h6,8,14,17H,2-5,7,9-13,15H2,1H3,(H,22,24).
What are the key properties of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 438.55 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 3947818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).