[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate

C20H28N2O6S — CID 7722474

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C20H28N2O6S/c1-15-6-7-17(29(25,26)22-8-10-27-11-9-22)13-18(15)21-19(23)14-28-20(24)12-16-4-2-3-5-16/h6-7,13,16H,2-5,8-12,14H2,1H3,(H,21,23)
InChIKeyWBHHDBRKRMINQR-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.08
Rot. Bonds7

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 7722474) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate
PubChem CID7722474
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C20H28N2O6S/c1-15-6-7-17(29(25,26)22-8-10-27-11-9-22)13-18(15)21-19(23)14-28-20(24)12-16-4-2-3-5-16/h6-7,13,16H,2-5,8-12,14H2,1H3,(H,21,23)
InChIKeyWBHHDBRKRMINQR-UHFFFAOYSA-N
XLogP2.08
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 25162358
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 4622091
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760061
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24981479
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 16534709
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 4664802
2-cyclopentyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4798720
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932181
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 24686157
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-1H-pyridine-3-carboxylate
CID 5223315
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7434884

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate (CID 7722474) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CC1CCCC1.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is WBHHDBRKRMINQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-15-6-7-17(29(25,26)22-8-10-27-11-9-22)13-18(15)21-19(23)14-28-20(24)12-16-4-2-3-5-16/h6-7,13,16H,2-5,8-12,14H2,1H3,(H,21,23).
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 424.52 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 7722474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).