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

C25H24F4N2O4S — CID 58873506

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C25H24F4N2O4S/c1-15(17-7-11-23(22(26)12-17)31-36(3,33)34)24(32)30-14-18-4-8-19(25(27,28)29)13-21(18)16-5-9-20(35-2)10-6-16/h4-13,15,31H,14H2,1-3H3,(H,30,32)
InChIKeyMELPGTMHQUBDIX-UHFFFAOYSA-N
MW524.54 g/mol
LogP5.31
Rot. Bonds8

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

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 58873506) has the molecular formula C25H24F4N2O4S and a molecular weight of 524.54 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID58873506
Molecular FormulaC25H24F4N2O4S
Molecular Weight524.54 g/mol
Exact Mass524.14
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C25H24F4N2O4S/c1-15(17-7-11-23(22(26)12-17)31-36(3,33)34)24(32)30-14-18-4-8-19(25(27,28)29)13-21(18)16-5-9-20(35-2)10-6-16/h4-13,15,31H,14H2,1-3H3,(H,30,32)
InChIKeyMELPGTMHQUBDIX-UHFFFAOYSA-N
XLogP5.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.54
LogP ≤ 55.31
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-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide (CID 58873506) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide is COc1ccc(-c2cc(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-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is MELPGTMHQUBDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N2O4S/c1-15(17-7-11-23(22(26)12-17)31-36(3,33)34)24(32)30-14-18-4-8-19(25(27,28)29)13-21(18)16-5-9-20(35-2)10-6-16/h4-13,15,31H,14H2,1-3H3,(H,30,32).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 524.54 g/mol, XLogP of 5.31, 8 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-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 58873506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).