(2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide

C23H27F4N3O3S — CID 25063639

IUPAC(2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H27F4N3O3S/c1-15(16-7-9-20(19(24)12-16)29-34(2,32)33)22(31)28-14-17-6-8-18(23(25,26)27)13-21(17)30-10-4-3-5-11-30/h6-9,12-13,15,29H,3-5,10-11,14H2,1-2H3,(H,28,31)/t15-/m1/s1
InChIKeyDRAFXHUPVAQHOY-OAHLLOKOSA-N
MW501.55 g/mol
LogP4.63
Rot. Bonds7

About (2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide

(2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 25063639) has the molecular formula C23H27F4N3O3S and a molecular weight of 501.55 g/mol. Its IUPAC name is (2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID25063639
Molecular FormulaC23H27F4N3O3S
Molecular Weight501.55 g/mol
Exact Mass501.17
IUPAC Name(2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H27F4N3O3S/c1-15(16-7-9-20(19(24)12-16)29-34(2,32)33)22(31)28-14-17-6-8-18(23(25,26)27)13-21(17)30-10-4-3-5-11-30/h6-9,12-13,15,29H,3-5,10-11,14H2,1-2H3,(H,28,31)/t15-/m1/s1
InChIKeyDRAFXHUPVAQHOY-OAHLLOKOSA-N
XLogP4.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide (CID 25063639) is (2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide is C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of (2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is DRAFXHUPVAQHOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27F4N3O3S/c1-15(16-7-9-20(19(24)12-16)29-34(2,32)33)22(31)28-14-17-6-8-18(23(25,26)27)13-21(17)30-10-4-3-5-11-30/h6-9,12-13,15,29H,3-5,10-11,14H2,1-2H3,(H,28,31)/t15-/m1/s1.
What are the key properties of (2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide?
(2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 501.55 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 25063639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).