2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C22H25F4N3O4S — CID 71698540

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1C[C@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C22H25F4N3O4S/c1-12-8-16(12)11-33-21-15(5-7-19(28-21)22(24,25)26)10-27-20(30)13(2)14-4-6-18(17(23)9-14)29-34(3,31)32/h4-7,9,12-13,16,29H,8,10-11H2,1-3H3,(H,27,30)/t12-,13?,16+/m1/s1
InChIKeyYPUYKRCDAKESFQ-LRRQEPCHSA-N
MW503.52 g/mol
LogP4.07
Rot. Bonds9

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 71698540) has the molecular formula C22H25F4N3O4S and a molecular weight of 503.52 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID71698540
Molecular FormulaC22H25F4N3O4S
Molecular Weight503.52 g/mol
Exact Mass503.15
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1C[C@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C22H25F4N3O4S/c1-12-8-16(12)11-33-21-15(5-7-19(28-21)22(24,25)26)10-27-20(30)13(2)14-4-6-18(17(23)9-14)29-34(3,31)32/h4-7,9,12-13,16,29H,8,10-11H2,1-3H3,(H,27,30)/t12-,13?,16+/m1/s1
InChIKeyYPUYKRCDAKESFQ-LRRQEPCHSA-N
XLogP4.07
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 71698540) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1C[C@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is YPUYKRCDAKESFQ-LRRQEPCHSA-N. The full InChI is InChI=1S/C22H25F4N3O4S/c1-12-8-16(12)11-33-21-15(5-7-19(28-21)22(24,25)26)10-27-20(30)13(2)14-4-6-18(17(23)9-14)29-34(3,31)32/h4-7,9,12-13,16,29H,8,10-11H2,1-3H3,(H,27,30)/t12-,13?,16+/m1/s1.
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 503.52 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 71698540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).