2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide

C23H27F3N2O3S — CID 46850426

IUPAC2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C2(NC(=O)c3c(OC)cc(C(F)(F)F)cc3SC)CCCN(C)C2)cc1
InChIInChI=1S/C23H27F3N2O3S/c1-28-11-5-10-22(14-28,15-6-8-17(30-2)9-7-15)27-21(29)20-18(31-3)12-16(23(24,25)26)13-19(20)32-4/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,27,29)
InChIKeyIWEKXLBSCXDRCW-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.80
Rot. Bonds6

About 2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide

2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide (PubChem CID 46850426) has the molecular formula C23H27F3N2O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide
PubChem CID46850426
Molecular FormulaC23H27F3N2O3S
Molecular Weight468.54 g/mol
Exact Mass468.17
IUPAC Name2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C2(NC(=O)c3c(OC)cc(C(F)(F)F)cc3SC)CCCN(C)C2)cc1
InChIInChI=1S/C23H27F3N2O3S/c1-28-11-5-10-22(14-28,15-6-8-17(30-2)9-7-15)27-21(29)20-18(31-3)12-16(23(24,25)26)13-19(20)32-4/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,27,29)
InChIKeyIWEKXLBSCXDRCW-UHFFFAOYSA-N
XLogP4.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide (CID 46850426) is 2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide is COc1ccc(C2(NC(=O)c3c(OC)cc(C(F)(F)F)cc3SC)CCCN(C)C2)cc1.
What is the InChIKey of 2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
The InChIKey is IWEKXLBSCXDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3S/c1-28-11-5-10-22(14-28,15-6-8-17(30-2)9-7-15)27-21(29)20-18(31-3)12-16(23(24,25)26)13-19(20)32-4/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,27,29).
What are the key properties of 2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide has a molecular weight of 468.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 46850426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).