(6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide

C22H26N2O4S — CID 15681186

IUPAC(6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide
SMILESCC1(C)Oc2cc(C(N)=O)sc2[C@H](N2CCCCC2=O)[C@H]1OCc1ccccc1
InChIInChI=1S/C22H26N2O4S/c1-22(2)20(27-13-14-8-4-3-5-9-14)18(24-11-7-6-10-17(24)25)19-15(28-22)12-16(29-19)21(23)26/h3-5,8-9,12,18,20H,6-7,10-11,13H2,1-2H3,(H2,23,26)/t18-,20+/m0/s1
InChIKeyMYRJNQIVBPWUFJ-AZUAARDMSA-N
MW414.53 g/mol
LogP3.66
Rot. Bonds5

About (6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide

(6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide (PubChem CID 15681186) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is (6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide.

Molecular Properties

Compound Name(6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide
PubChem CID15681186
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name(6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide
SMILESCC1(C)Oc2cc(C(N)=O)sc2[C@H](N2CCCCC2=O)[C@H]1OCc1ccccc1
InChIInChI=1S/C22H26N2O4S/c1-22(2)20(27-13-14-8-4-3-5-9-14)18(24-11-7-6-10-17(24)25)19-15(28-22)12-16(29-19)21(23)26/h3-5,8-9,12,18,20H,6-7,10-11,13H2,1-2H3,(H2,23,26)/t18-,20+/m0/s1
InChIKeyMYRJNQIVBPWUFJ-AZUAARDMSA-N
XLogP3.66
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(6S)-6-hydroxy-5,5-dimethyl-2-nitro-6,7-dihydrothieno[3,2-b]pyran-7-yl]piperidin-2-one;sulfane
CID 160845689
1-[(3R,4S)-6-ethyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyrrolidin-2-one
CID 54512297
[(3S,4R)-6-acetyl-2,2-dimethyl-4-(2-oxopiperidin-1-yl)-3,4-dihydrochromen-3-yl] formate
CID 154477774
benzyl butyl [(3S,4R)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-6-(trifluoromethyl)-3,4-dihydrochromen-3-yl] phosphate
CID 155796078
1-[(3R,4S)-6-(benzenesulfonyl)-3-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidin-2-one
CID 18656738
1-[(3S,4R)-3-(6-hydroxyhexoxy)-6-isocyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyrrolidin-2-one
CID 165387350
benzyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 67972328
2-[[(3R,4R)-6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-3-yl]oxy]ethyl dihydrogen phosphate
CID 166057795
1-[(3R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfanyl)-3,4-dihydrochromen-4-yl]piperidin-2-one
CID 59981717
benzyl (3aS,4S,7aS)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-d]oxazine-6-carboxylate
CID 10872504
benzyl (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoate
CID 130457082
(7S,8aR)-8,8-dimethyl-7-phenylmethoxy-3,4,7,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
CID 25228229

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide?
The IUPAC name of (6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide (CID 15681186) is (6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide.
What is the SMILES notation for (6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide?
The canonical SMILES for (6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide is CC1(C)Oc2cc(C(N)=O)sc2[C@H](N2CCCCC2=O)[C@H]1OCc1ccccc1.
What is the InChIKey of (6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide?
The InChIKey is MYRJNQIVBPWUFJ-AZUAARDMSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-22(2)20(27-13-14-8-4-3-5-9-14)18(24-11-7-6-10-17(24)25)19-15(28-22)12-16(29-19)21(23)26/h3-5,8-9,12,18,20H,6-7,10-11,13H2,1-2H3,(H2,23,26)/t18-,20+/m0/s1.
What are the key properties of (6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide?
(6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-5,5-dimethyl-7-(2-oxopiperidin-1-yl)-6-phenylmethoxy-6,7-dihydrothieno[3,2-b]pyran-2-carboxamide is sourced from PubChem (CID 15681186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).