2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide

C25H25N3O2S — CID 56577093

IUPAC2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(CSc2ccccn2)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C25H25N3O2S/c29-23-14-5-7-16-28(23)24(20-10-2-1-3-11-20)25(30)27-21-12-8-9-19(17-21)18-31-22-13-4-6-15-26-22/h1-4,6,8-13,15,17,24H,5,7,14,16,18H2,(H,27,30)
InChIKeyGOWWQKOGKFQGCB-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.07
Rot. Bonds7

About 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide

2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide (PubChem CID 56577093) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
PubChem CID56577093
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(CSc2ccccn2)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C25H25N3O2S/c29-23-14-5-7-16-28(23)24(20-10-2-1-3-11-20)25(30)27-21-12-8-9-19(17-21)18-31-22-13-4-6-15-26-22/h1-4,6,8-13,15,17,24H,5,7,14,16,18H2,(H,27,30)
InChIKeyGOWWQKOGKFQGCB-UHFFFAOYSA-N
XLogP5.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 56515984
3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate
CID 56577209
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide
CID 47002665
N-(3-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515228
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516841
(2S)-N-imidazo[1,2-a]pyridin-5-yl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 124887769
N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577911
1-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554374
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 99816438

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide (CID 56577093) is 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide is O=C(Nc1cccc(CSc2ccccn2)c1)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The InChIKey is GOWWQKOGKFQGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c29-23-14-5-7-16-28(23)24(20-10-2-1-3-11-20)25(30)27-21-12-8-9-19(17-21)18-31-22-13-4-6-15-26-22/h1-4,6,8-13,15,17,24H,5,7,14,16,18H2,(H,27,30).
What are the key properties of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide has a molecular weight of 431.56 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 56577093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).