2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

C16H22F2N2O2S — CID 120888588

IUPAC2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccccc2SC(F)F)CCNCC1
InChIInChI=1S/C16H22F2N2O2S/c1-22-11-16(6-8-19-9-7-16)10-20-14(21)12-4-2-3-5-13(12)23-15(17)18/h2-5,15,19H,6-11H2,1H3,(H,20,21)
InChIKeyXINFYLJPAONFSO-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.75
Rot. Bonds7

About 2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 120888588) has the molecular formula C16H22F2N2O2S and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
PubChem CID120888588
Molecular FormulaC16H22F2N2O2S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccccc2SC(F)F)CCNCC1
InChIInChI=1S/C16H22F2N2O2S/c1-22-11-16(6-8-19-9-7-16)10-20-14(21)12-4-2-3-5-13(12)23-15(17)18/h2-5,15,19H,6-11H2,1H3,(H,20,21)
InChIKeyXINFYLJPAONFSO-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120892177
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
5-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 120888903
2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890029
3-(2,2-difluoroethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 120889975
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120891084

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (CID 120888588) is 2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is COCC1(CNC(=O)c2ccccc2SC(F)F)CCNCC1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is XINFYLJPAONFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2S/c1-22-11-16(6-8-19-9-7-16)10-20-14(21)12-4-2-3-5-13(12)23-15(17)18/h2-5,15,19H,6-11H2,1H3,(H,20,21).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 344.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 120888588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).