2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide

C19H20F3N3OS — CID 24819264

IUPAC2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide
SMILESCSc1ccccc1C(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C19H20F3N3OS/c1-27-16-7-3-2-6-15(16)18(26)24-14-5-4-10-25(12-14)17-9-8-13(11-23-17)19(20,21)22/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,24,26)
InChIKeyCLOGDJJXYIPXQC-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.22
Rot. Bonds4

About 2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide

2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide (PubChem CID 24819264) has the molecular formula C19H20F3N3OS and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide
PubChem CID24819264
Molecular FormulaC19H20F3N3OS
Molecular Weight395.45 g/mol
Exact Mass395.13
IUPAC Name2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide
SMILESCSc1ccccc1C(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C19H20F3N3OS/c1-27-16-7-3-2-6-15(16)18(26)24-14-5-4-10-25(12-14)17-9-8-13(11-23-17)19(20,21)22/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,24,26)
InChIKeyCLOGDJJXYIPXQC-UHFFFAOYSA-N
XLogP4.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide (CID 24819264) is 2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide is CSc1ccccc1C(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide?
The InChIKey is CLOGDJJXYIPXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3OS/c1-27-16-7-3-2-6-15(16)18(26)24-14-5-4-10-25(12-14)17-9-8-13(11-23-17)19(20,21)22/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,24,26).
What are the key properties of 2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide?
2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide has a molecular weight of 395.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 24819264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).