N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

C26H26F2N2O2S — CID 26274703

IUPACN-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cccc(F)c1F)CC2
InChIInChI=1S/C26H26F2N2O2S/c1-32-24-23(29-25(31)18-9-14-33-16-18)19-6-2-3-7-20(19)26(24)10-12-30(13-11-26)15-17-5-4-8-21(27)22(17)28/h2-9,14,16,23-24H,10-13,15H2,1H3,(H,29,31)/t23-,24+/m1/s1
InChIKeyGHOWXUIFZXKOCU-RPWUZVMVSA-N
MW468.57 g/mol
LogP5.06
Rot. Bonds5

About N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (PubChem CID 26274703) has the molecular formula C26H26F2N2O2S and a molecular weight of 468.57 g/mol. Its IUPAC name is N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
PubChem CID26274703
Molecular FormulaC26H26F2N2O2S
Molecular Weight468.57 g/mol
Exact Mass468.17
IUPAC NameN-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cccc(F)c1F)CC2
InChIInChI=1S/C26H26F2N2O2S/c1-32-24-23(29-25(31)18-9-14-33-16-18)19-6-2-3-7-20(19)26(24)10-12-30(13-11-26)15-17-5-4-8-21(27)22(17)28/h2-9,14,16,23-24H,10-13,15H2,1H3,(H,29,31)/t23-,24+/m1/s1
InChIKeyGHOWXUIFZXKOCU-RPWUZVMVSA-N
XLogP5.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.57
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (CID 26274703) is N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cccc(F)c1F)CC2.
What is the InChIKey of N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The InChIKey is GHOWXUIFZXKOCU-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H26F2N2O2S/c1-32-24-23(29-25(31)18-9-14-33-16-18)19-6-2-3-7-20(19)26(24)10-12-30(13-11-26)15-17-5-4-8-21(27)22(17)28/h2-9,14,16,23-24H,10-13,15H2,1H3,(H,29,31)/t23-,24+/m1/s1.
What are the key properties of N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide has a molecular weight of 468.57 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is sourced from PubChem (CID 26274703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).