N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C23H26N2O2S2 — CID 56516841

IUPACN-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(Nc1cccc(C2SCCCS2)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C23H26N2O2S2/c26-20-12-4-5-13-25(20)21(17-8-2-1-3-9-17)22(27)24-19-11-6-10-18(16-19)23-28-14-7-15-29-23/h1-3,6,8-11,16,21,23H,4-5,7,12-15H2,(H,24,27)
InChIKeyFRYGQLPCQVOBDN-UHFFFAOYSA-N
MW426.61 g/mol
LogP5.25
Rot. Bonds5

About N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56516841) has the molecular formula C23H26N2O2S2 and a molecular weight of 426.61 g/mol. Its IUPAC name is N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56516841
Molecular FormulaC23H26N2O2S2
Molecular Weight426.61 g/mol
Exact Mass426.14
IUPAC NameN-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(Nc1cccc(C2SCCCS2)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C23H26N2O2S2/c26-20-12-4-5-13-25(20)21(17-8-2-1-3-9-17)22(27)24-19-11-6-10-18(16-19)23-28-14-7-15-29-23/h1-3,6,8-11,16,21,23H,4-5,7,12-15H2,(H,24,27)
InChIKeyFRYGQLPCQVOBDN-UHFFFAOYSA-N
XLogP5.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
N-(3-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515228
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577911
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515457
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-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 56515984
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513321
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 56577093
N-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514636
N-cyclopentyl-4-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzamide
CID 56513712

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56516841) is N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(Nc1cccc(C2SCCCS2)c1)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is FRYGQLPCQVOBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S2/c26-20-12-4-5-13-25(20)21(17-8-2-1-3-9-17)22(27)24-19-11-6-10-18(16-19)23-28-14-7-15-29-23/h1-3,6,8-11,16,21,23H,4-5,7,12-15H2,(H,24,27).
What are the key properties of N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 426.61 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56516841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).