(2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide

C25H32F2N2O2S — CID 52951808

IUPAC(2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12
InChIInChI=1S/C25H32F2N2O2S/c1-17(2)28(3)24(30)20(14-18-6-4-5-7-21(18)26)16-29-11-9-25(10-12-29)23-19(8-13-31-25)15-22(27)32-23/h4-7,15,17,20H,8-14,16H2,1-3H3/t20-/m0/s1
InChIKeyGPSFPLKTECYBTR-FQEVSTJZSA-N
MW462.61 g/mol
LogP4.62
Rot. Bonds6

About (2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide

(2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide (PubChem CID 52951808) has the molecular formula C25H32F2N2O2S and a molecular weight of 462.61 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide
PubChem CID52951808
Molecular FormulaC25H32F2N2O2S
Molecular Weight462.61 g/mol
Exact Mass462.22
IUPAC Name(2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12
InChIInChI=1S/C25H32F2N2O2S/c1-17(2)28(3)24(30)20(14-18-6-4-5-7-21(18)26)16-29-11-9-25(10-12-29)23-19(8-13-31-25)15-22(27)32-23/h4-7,15,17,20H,8-14,16H2,1-3H3/t20-/m0/s1
InChIKeyGPSFPLKTECYBTR-FQEVSTJZSA-N
XLogP4.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide (CID 52951808) is (2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide is CC(C)N(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is GPSFPLKTECYBTR-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H32F2N2O2S/c1-17(2)28(3)24(30)20(14-18-6-4-5-7-21(18)26)16-29-11-9-25(10-12-29)23-19(8-13-31-25)15-22(27)32-23/h4-7,15,17,20H,8-14,16H2,1-3H3/t20-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide?
(2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 462.61 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 52951808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).