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

C23H21F4N3O3S — CID 25063712

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccnc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H21F4N3O3S/c1-14(15-6-8-21(20(24)10-15)30-34(2,32)33)22(31)29-13-17-5-7-18(23(25,26)27)11-19(17)16-4-3-9-28-12-16/h3-12,14,30H,13H2,1-2H3,(H,29,31)
InChIKeyYGEDBJAPDFPYIE-UHFFFAOYSA-N
MW495.50 g/mol
LogP4.70
Rot. Bonds7

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

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 25063712) has the molecular formula C23H21F4N3O3S and a molecular weight of 495.50 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID25063712
Molecular FormulaC23H21F4N3O3S
Molecular Weight495.50 g/mol
Exact Mass495.12
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccnc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H21F4N3O3S/c1-14(15-6-8-21(20(24)10-15)30-34(2,32)33)22(31)29-13-17-5-7-18(23(25,26)27)11-19(17)16-4-3-9-28-12-16/h3-12,14,30H,13H2,1-2H3,(H,29,31)
InChIKeyYGEDBJAPDFPYIE-UHFFFAOYSA-N
XLogP4.70
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide (CID 25063712) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccnc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is YGEDBJAPDFPYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N3O3S/c1-14(15-6-8-21(20(24)10-15)30-34(2,32)33)22(31)29-13-17-5-7-18(23(25,26)27)11-19(17)16-4-3-9-28-12-16/h3-12,14,30H,13H2,1-2H3,(H,29,31).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 495.50 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 25063712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).