N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C19H23F3N2O2S2 — CID 71787122

IUPACN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C19H23F3N2O2S2/c20-19(21,22)17-5-3-15(4-6-17)14-28(25,26)23-9-12-24-10-7-16(8-11-24)18-2-1-13-27-18/h1-6,13,16,23H,7-12,14H2
InChIKeyRARJYMOTBBZJMU-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.07
Rot. Bonds7

About N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71787122) has the molecular formula C19H23F3N2O2S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71787122
Molecular FormulaC19H23F3N2O2S2
Molecular Weight432.53 g/mol
Exact Mass432.12
IUPAC NameN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C19H23F3N2O2S2/c20-19(21,22)17-5-3-15(4-6-17)14-28(25,26)23-9-12-24-10-7-16(8-11-24)18-2-1-13-27-18/h1-6,13,16,23H,7-12,14H2
InChIKeyRARJYMOTBBZJMU-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71787122) is N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is RARJYMOTBBZJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2S2/c20-19(21,22)17-5-3-15(4-6-17)14-28(25,26)23-9-12-24-10-7-16(8-11-24)18-2-1-13-27-18/h1-6,13,16,23H,7-12,14H2.
What are the key properties of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 432.53 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71787122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).