N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide

C25H25F3N2O7S — CID 71747642

IUPACN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)S(=O)(=O)C(F)(F)F)c(OCc3cc(OC)ccc3OC)c2)cc1
InChIInChI=1S/C25H25F3N2O7S/c1-30(38(32,33)25(26,27)28)21-11-7-18(29-24(31)16-5-8-19(34-2)9-6-16)14-23(21)37-15-17-13-20(35-3)10-12-22(17)36-4/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyFESDLZOIINKGTD-UHFFFAOYSA-N
MW554.54 g/mol
LogP4.83
Rot. Bonds10

About N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide

N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide (PubChem CID 71747642) has the molecular formula C25H25F3N2O7S and a molecular weight of 554.54 g/mol. Its IUPAC name is N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide
PubChem CID71747642
Molecular FormulaC25H25F3N2O7S
Molecular Weight554.54 g/mol
Exact Mass554.13
IUPAC NameN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)S(=O)(=O)C(F)(F)F)c(OCc3cc(OC)ccc3OC)c2)cc1
InChIInChI=1S/C25H25F3N2O7S/c1-30(38(32,33)25(26,27)28)21-11-7-18(29-24(31)16-5-8-19(34-2)9-6-16)14-23(21)37-15-17-13-20(35-3)10-12-22(17)36-4/h5-14H,15H2,1-4H3,(H,29,31)
InChIKeyFESDLZOIINKGTD-UHFFFAOYSA-N
XLogP4.83
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 71747643
N-[4-amino-2-[(2,5-dimethoxyphenyl)methoxy]phenyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 71748011
4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide
CID 71747455
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 56969936
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide
CID 56969934
N-[4-(dimethylamino)-3-methoxyphenyl]-4-[4-[[4-(dimethylamino)-3-methoxyphenyl]carbamoyl]phenyl]benzamide
CID 171423306
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
4-[(3,4-difluorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)benzamide
CID 27537974

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide (CID 71747642) is N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N(C)S(=O)(=O)C(F)(F)F)c(OCc3cc(OC)ccc3OC)c2)cc1.
What is the InChIKey of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide?
The InChIKey is FESDLZOIINKGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O7S/c1-30(38(32,33)25(26,27)28)21-11-7-18(29-24(31)16-5-8-19(34-2)9-6-16)14-23(21)37-15-17-13-20(35-3)10-12-22(17)36-4/h5-14H,15H2,1-4H3,(H,29,31).
What are the key properties of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide?
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide has a molecular weight of 554.54 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 71747642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).