[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate

C18H19NO5S — CID 26061559

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)c1ccc[nH]1
InChIInChI=1S/C18H19NO5S/c20-16(15-9-6-12-19-15)13-24-17(21)18(10-4-5-11-18)25(22,23)14-7-2-1-3-8-14/h1-3,6-9,12,19H,4-5,10-11,13H2
InChIKeyMVWJGXYMLKNEGA-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.53
Rot. Bonds6

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate (PubChem CID 26061559) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate
PubChem CID26061559
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)c1ccc[nH]1
InChIInChI=1S/C18H19NO5S/c20-16(15-9-6-12-19-15)13-24-17(21)18(10-4-5-11-18)25(22,23)14-7-2-1-3-8-14/h1-3,6-9,12,19H,4-5,10-11,13H2
InChIKeyMVWJGXYMLKNEGA-UHFFFAOYSA-N
XLogP2.53
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(benzenesulfonyl)cyclopropanecarbonyl]oxyethyl 1-(benzenesulfonyl)cyclopropane-1-carboxylate
CID 118199306
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate
CID 46694263
2-(benzenesulfonyl)-1-(1H-pyrrol-2-yl)ethanone
CID 47111494
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 4038938
2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone
CID 130527832
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate
CID 26061618
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1-adamantyl)acetate
CID 7695381
1-[1-(benzenesulfonyl)cyclobutyl]ethanone
CID 115042670
N-methyl-N-[4-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]phenyl]benzenesulfonamide
CID 4825814
[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 23854238
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(1-phenylethylsulfamoyl)benzoate
CID 42902900

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate (CID 26061559) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate?
The InChIKey is MVWJGXYMLKNEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c20-16(15-9-6-12-19-15)13-24-17(21)18(10-4-5-11-18)25(22,23)14-7-2-1-3-8-14/h1-3,6-9,12,19H,4-5,10-11,13H2.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 26061559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).