2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide

C20H24F2N2OS2 — CID 30524422

IUPAC2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCC1CCN([C@@H](CNC(=O)c2ccccc2SC(F)F)c2cccs2)CC1
InChIInChI=1S/C20H24F2N2OS2/c1-14-8-10-24(11-9-14)16(18-7-4-12-26-18)13-23-19(25)15-5-2-3-6-17(15)27-20(21)22/h2-7,12,14,16,20H,8-11,13H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyXCNOZYCBZSEIMC-INIZCTEOSA-N
MW410.56 g/mol
LogP5.27
Rot. Bonds7

About 2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide

2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 30524422) has the molecular formula C20H24F2N2OS2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID30524422
Molecular FormulaC20H24F2N2OS2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC Name2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCC1CCN([C@@H](CNC(=O)c2ccccc2SC(F)F)c2cccs2)CC1
InChIInChI=1S/C20H24F2N2OS2/c1-14-8-10-24(11-9-14)16(18-7-4-12-26-18)13-23-19(25)15-5-2-3-6-17(15)27-20(21)22/h2-7,12,14,16,20H,8-11,13H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyXCNOZYCBZSEIMC-INIZCTEOSA-N
XLogP5.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide with MolForge

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Related Compounds

2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
2-methoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006364
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006400
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55622785
2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006385
2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 55337540
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 55527298
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 119830765
2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-5-sulfamoylbenzamide
CID 24639911

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide (CID 30524422) is 2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide is CC1CCN([C@@H](CNC(=O)c2ccccc2SC(F)F)c2cccs2)CC1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is XCNOZYCBZSEIMC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24F2N2OS2/c1-14-8-10-24(11-9-14)16(18-7-4-12-26-18)13-23-19(25)15-5-2-3-6-17(15)27-20(21)22/h2-7,12,14,16,20H,8-11,13H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 410.56 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 30524422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).