(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

C22H26N2O5S2 — CID 42938513

IUPAC(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
SMILESO=C(OC(C(=O)N1CCCCC1)c1ccccc1)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H26N2O5S2/c25-21(23-12-5-2-6-13-23)19(17-9-3-1-4-10-17)29-22(26)20-18(11-16-30-20)31(27,28)24-14-7-8-15-24/h1,3-4,9-11,16,19H,2,5-8,12-15H2
InChIKeyCRDDIXNMTUMXTM-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.44
Rot. Bonds6

About (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate (PubChem CID 42938513) has the molecular formula C22H26N2O5S2 and a molecular weight of 462.59 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
PubChem CID42938513
Molecular FormulaC22H26N2O5S2
Molecular Weight462.59 g/mol
Exact Mass462.13
IUPAC Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
SMILESO=C(OC(C(=O)N1CCCCC1)c1ccccc1)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H26N2O5S2/c25-21(23-12-5-2-6-13-23)19(17-9-3-1-4-10-17)29-22(26)20-18(11-16-30-20)31(27,28)24-14-7-8-15-24/h1,3-4,9-11,16,19H,2,5-8,12-15H2
InChIKeyCRDDIXNMTUMXTM-UHFFFAOYSA-N
XLogP3.44
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55390054
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
[1-(1-adamantyl)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 17468679
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
(2-amino-2-oxoethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 33079593
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dichlorobenzoate
CID 7699428
(4-chlorophenyl) 3-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 43036337
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 46542910
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-chloro-4,5-difluorobenzoate
CID 7699910
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate?
The IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate (CID 42938513) is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate?
The canonical SMILES for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate is O=C(OC(C(=O)N1CCCCC1)c1ccccc1)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate?
The InChIKey is CRDDIXNMTUMXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S2/c25-21(23-12-5-2-6-13-23)19(17-9-3-1-4-10-17)29-22(26)20-18(11-16-30-20)31(27,28)24-14-7-8-15-24/h1,3-4,9-11,16,19H,2,5-8,12-15H2.
What are the key properties of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate?
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate has a molecular weight of 462.59 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 42938513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).