2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C25H31F4N3O4S — CID 58873514

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCC(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1
InChIInChI=1S/C25H31F4N3O4S/c1-15-4-6-17(7-5-15)14-36-24-19(9-11-22(31-24)25(27,28)29)13-30-23(33)16(2)18-8-10-21(20(26)12-18)32-37(3,34)35/h8-12,15-17,32H,4-7,13-14H2,1-3H3,(H,30,33)
InChIKeyBPXLDPNUIDKFEV-UHFFFAOYSA-N
MW545.60 g/mol
LogP5.24
Rot. Bonds9

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 58873514) has the molecular formula C25H31F4N3O4S and a molecular weight of 545.60 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID58873514
Molecular FormulaC25H31F4N3O4S
Molecular Weight545.60 g/mol
Exact Mass545.20
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCC(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1
InChIInChI=1S/C25H31F4N3O4S/c1-15-4-6-17(7-5-15)14-36-24-19(9-11-22(31-24)25(27,28)29)13-30-23(33)16(2)18-8-10-21(20(26)12-18)32-37(3,34)35/h8-12,15-17,32H,4-7,13-14H2,1-3H3,(H,30,33)
InChIKeyBPXLDPNUIDKFEV-UHFFFAOYSA-N
XLogP5.24
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.60
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)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-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 58873514) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC1CCC(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is BPXLDPNUIDKFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F4N3O4S/c1-15-4-6-17(7-5-15)14-36-24-19(9-11-22(31-24)25(27,28)29)13-30-23(33)16(2)18-8-10-21(20(26)12-18)32-37(3,34)35/h8-12,15-17,32H,4-7,13-14H2,1-3H3,(H,30,33).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 545.60 g/mol, XLogP of 5.24, 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-[(4-methylcyclohexyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 58873514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).