N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide

C23H31F3N4O2S — CID 150461928

IUPACN-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNCC(C)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C23H31F3N4O2S/c1-16-10-12-30(13-11-16)22-19(6-9-21(28-22)23(24,25)26)15-27-14-17(2)18-4-7-20(8-5-18)29-33(3,31)32/h4-9,16-17,27,29H,10-15H2,1-3H3
InChIKeyHPYORXZRWYOFKD-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.60
Rot. Bonds8

About N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide

N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide (PubChem CID 150461928) has the molecular formula C23H31F3N4O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide
PubChem CID150461928
Molecular FormulaC23H31F3N4O2S
Molecular Weight484.59 g/mol
Exact Mass484.21
IUPAC NameN-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNCC(C)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C23H31F3N4O2S/c1-16-10-12-30(13-11-16)22-19(6-9-21(28-22)23(24,25)26)15-27-14-17(2)18-4-7-20(8-5-18)29-33(3,31)32/h4-9,16-17,27,29H,10-15H2,1-3H3
InChIKeyHPYORXZRWYOFKD-UHFFFAOYSA-N
XLogP4.60
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide (CID 150461928) is N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNCC(C)c2ccc(NS(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide?
The InChIKey is HPYORXZRWYOFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O2S/c1-16-10-12-30(13-11-16)22-19(6-9-21(28-22)23(24,25)26)15-27-14-17(2)18-4-7-20(8-5-18)29-33(3,31)32/h4-9,16-17,27,29H,10-15H2,1-3H3.
What are the key properties of N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide?
N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide has a molecular weight of 484.59 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]propan-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 150461928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).