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

C25H25F4N3O5S — CID 58873414

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCOc1cccc(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)c1
InChIInChI=1S/C25H25F4N3O5S/c1-15(17-7-9-21(20(26)12-17)32-38(3,34)35)23(33)30-13-18-8-10-22(25(27,28)29)31-24(18)37-14-16-5-4-6-19(11-16)36-2/h4-12,15,32H,13-14H2,1-3H3,(H,30,33)
InChIKeyICDWKHYPDOHCOB-UHFFFAOYSA-N
MW555.55 g/mol
LogP4.62
Rot. Bonds10

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

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 58873414) has the molecular formula C25H25F4N3O5S and a molecular weight of 555.55 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID58873414
Molecular FormulaC25H25F4N3O5S
Molecular Weight555.55 g/mol
Exact Mass555.15
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCOc1cccc(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)c1
InChIInChI=1S/C25H25F4N3O5S/c1-15(17-7-9-21(20(26)12-17)32-38(3,34)35)23(33)30-13-18-8-10-22(25(27,28)29)31-24(18)37-14-16-5-4-6-19(11-16)36-2/h4-12,15,32H,13-14H2,1-3H3,(H,30,33)
InChIKeyICDWKHYPDOHCOB-UHFFFAOYSA-N
XLogP4.62
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 58873414) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is COc1cccc(COc2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is ICDWKHYPDOHCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N3O5S/c1-15(17-7-9-21(20(26)12-17)32-38(3,34)35)23(33)30-13-18-8-10-22(25(27,28)29)31-24(18)37-14-16-5-4-6-19(11-16)36-2/h4-12,15,32H,13-14H2,1-3H3,(H,30,33).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 555.55 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 58873414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).