[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate

C20H28N2O5S — CID 35776383

IUPAC[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate
SMILESO=C(COC(=O)CC1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H28N2O5S/c23-19(15-27-20(24)13-16-7-2-1-3-8-16)21-17-9-6-10-18(14-17)28(25,26)22-11-4-5-12-22/h6,9-10,14,16H,1-5,7-8,11-13,15H2,(H,21,23)
InChIKeyIXDOOSQHLWIVMR-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.92
Rot. Bonds7

About [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate

[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate (PubChem CID 35776383) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate
PubChem CID35776383
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC Name[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate
SMILESO=C(COC(=O)CC1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H28N2O5S/c23-19(15-27-20(24)13-16-7-2-1-3-8-16)21-17-9-6-10-18(14-17)28(25,26)22-11-4-5-12-22/h6,9-10,14,16H,1-5,7-8,11-13,15H2,(H,21,23)
InChIKeyIXDOOSQHLWIVMR-UHFFFAOYSA-N
XLogP2.92
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclopentylacetate
CID 7722486
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 4622091
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylpropanoate
CID 7654688
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722315
[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 4967233
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 4831106
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 119672233

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate?
The IUPAC name of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate (CID 35776383) is [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate.
What is the SMILES notation for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate?
The canonical SMILES for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate is O=C(COC(=O)CC1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate?
The InChIKey is IXDOOSQHLWIVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S/c23-19(15-27-20(24)13-16-7-2-1-3-8-16)21-17-9-6-10-18(14-17)28(25,26)22-11-4-5-12-22/h6,9-10,14,16H,1-5,7-8,11-13,15H2,(H,21,23).
What are the key properties of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate?
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate has a molecular weight of 408.52 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate is sourced from PubChem (CID 35776383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).