difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen

C24H38F2N2O2S — CID 169138567

IUPACdifluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen
SMILESCCc1cc2c(s1)CCO[C@@]21CCN(CC2CC(NC(=O)C3CC3)C2)[C@@H](C)C1.FCF.[H][H]
InChIInChI=1S/C23H34N2O2S.CH2F2.H2/c1-3-19-12-20-21(28-19)6-9-27-23(20)7-8-25(15(2)13-23)14-16-10-18(11-16)24-22(26)17-4-5-17;2-1-3;/h12,15-18H,3-11,13-14H2,1-2H3,(H,24,26);1H2;1H/t15-,16?,18?,23+;;/m0../s1
InChIKeyHJQFRRSVQASXBI-DDJJGCAWSA-N
MW456.64 g/mol
LogP5.00
Rot. Bonds5

About difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen

difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen (PubChem CID 169138567) has the molecular formula C24H38F2N2O2S and a molecular weight of 456.64 g/mol. Its IUPAC name is difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

Compound Namedifluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen
PubChem CID169138567
Molecular FormulaC24H38F2N2O2S
Molecular Weight456.64 g/mol
Exact Mass456.26
IUPAC Namedifluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen
SMILESCCc1cc2c(s1)CCO[C@@]21CCN(CC2CC(NC(=O)C3CC3)C2)[C@@H](C)C1.FCF.[H][H]
InChIInChI=1S/C23H34N2O2S.CH2F2.H2/c1-3-19-12-20-21(28-19)6-9-27-23(20)7-8-25(15(2)13-23)14-16-10-18(11-16)24-22(26)17-4-5-17;2-1-3;/h12,15-18H,3-11,13-14H2,1-2H3,(H,24,26);1H2;1H/t15-,16?,18?,23+;;/m0../s1
InChIKeyHJQFRRSVQASXBI-DDJJGCAWSA-N
XLogP5.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.64
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 170127546
N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen
CID 169140091
N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-2-methylpyrimidine-4-carboxamide
CID 169140195
N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 169138813
1-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]azetidin-1-yl]-2-methylsulfonylpropan-1-one
CID 169139971
N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 170128035
(2'R)-2-ethyl-2'-methyl-1'-prop-2-ynylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169138702
2-[(2'S)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1-(4-fluorophenyl)ethanol
CID 169138911
N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 169140245
[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]azetidin-1-yl]-[3-(hydroxymethyl)phenyl]methanone
CID 170128106
N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]-1,3-dihydroxycyclobutane-1-carboxamide
CID 169140118
propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate
CID 169139105

Frequently Asked Questions

What is the IUPAC name of difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen?
The IUPAC name of difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen (CID 169138567) is difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen.
What is the SMILES notation for difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen?
The canonical SMILES for difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen is CCc1cc2c(s1)CCO[C@@]21CCN(CC2CC(NC(=O)C3CC3)C2)[C@@H](C)C1.FCF.[H][H].
What is the InChIKey of difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen?
The InChIKey is HJQFRRSVQASXBI-DDJJGCAWSA-N. The full InChI is InChI=1S/C23H34N2O2S.CH2F2.H2/c1-3-19-12-20-21(28-19)6-9-27-23(20)7-8-25(15(2)13-23)14-16-10-18(11-16)24-22(26)17-4-5-17;2-1-3;/h12,15-18H,3-11,13-14H2,1-2H3,(H,24,26);1H2;1H/t15-,16?,18?,23+;;/m0../s1.
What are the key properties of difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen?
difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 456.64 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 169138567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).