4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide

C18H26F2N2OS — CID 60569241

IUPAC4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCN(C(C)(C)CNC(=O)c2ccc(SC(F)F)cc2)C1
InChIInChI=1S/C18H26F2N2OS/c1-13-5-4-10-22(11-13)18(2,3)12-21-16(23)14-6-8-15(9-7-14)24-17(19)20/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,21,23)
InChIKeySLTQTVMURJLKKN-UHFFFAOYSA-N
MW356.48 g/mol
LogP4.24
Rot. Bonds6

About 4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide

4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 60569241) has the molecular formula C18H26F2N2OS and a molecular weight of 356.48 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
PubChem CID60569241
Molecular FormulaC18H26F2N2OS
Molecular Weight356.48 g/mol
Exact Mass356.17
IUPAC Name4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCN(C(C)(C)CNC(=O)c2ccc(SC(F)F)cc2)C1
InChIInChI=1S/C18H26F2N2OS/c1-13-5-4-10-22(11-13)18(2,3)12-21-16(23)14-6-8-15(9-7-14)24-17(19)20/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,21,23)
InChIKeySLTQTVMURJLKKN-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249800
5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 120645327
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60568818
3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide
CID 51124918
5-bromo-N-[3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]phenyl]furan-2-carboxamide
CID 51124897
(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide
CID 96539152
4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512475
3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443816
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 55320542
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide
CID 60568533

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide (CID 60569241) is 4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide is CC1CCCN(C(C)(C)CNC(=O)c2ccc(SC(F)F)cc2)C1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is SLTQTVMURJLKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2OS/c1-13-5-4-10-22(11-13)18(2,3)12-21-16(23)14-6-8-15(9-7-14)24-17(19)20/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,21,23).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide?
4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 356.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 60569241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).