(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone

C18H21NO4S — CID 95352268

IUPAC(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone
SMILESCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccco2)cc1
InChIInChI=1S/C18H21NO4S/c1-2-24(21,22)15-10-8-14(9-11-15)18(20)19-12-4-3-6-16(19)17-7-5-13-23-17/h5,7-11,13,16H,2-4,6,12H2,1H3/t16-/m1/s1
InChIKeyCSXVIHDWECQARL-MRXNPFEDSA-N
MW347.44 g/mol
LogP3.44
Rot. Bonds4

About (4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone

(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone (PubChem CID 95352268) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is (4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone
PubChem CID95352268
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone
SMILESCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccco2)cc1
InChIInChI=1S/C18H21NO4S/c1-2-24(21,22)15-10-8-14(9-11-15)18(20)19-12-4-3-6-16(19)17-7-5-13-23-17/h5,7-11,13,16H,2-4,6,12H2,1H3/t16-/m1/s1
InChIKeyCSXVIHDWECQARL-MRXNPFEDSA-N
XLogP3.44
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine
CID 102562304
5-[2-(furan-2-yl)azepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119136063
3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 99297656
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
[2-(furan-2-yl)pyrrolidin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 86960921
1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one
CID 75371938
1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 139002535
[2-(furan-2-yl)azepan-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 70706464
(4-ethylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651635

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone (CID 95352268) is (4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone is CCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccco2)cc1.
What is the InChIKey of (4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone?
The InChIKey is CSXVIHDWECQARL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-2-24(21,22)15-10-8-14(9-11-15)18(20)19-12-4-3-6-16(19)17-7-5-13-23-17/h5,7-11,13,16H,2-4,6,12H2,1H3/t16-/m1/s1.
What are the key properties of (4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone?
(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone has a molecular weight of 347.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95352268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).