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

C26H27F3N2O8S — CID 71747643

IUPACN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(OC)c(COc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2N(C)S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C26H27F3N2O8S/c1-31(40(33,34)26(27,28)29)20-9-7-18(30-25(32)16-6-10-22(37-4)24(13-16)38-5)14-23(20)39-15-17-12-19(35-2)8-11-21(17)36-3/h6-14H,15H2,1-5H3,(H,30,32)
InChIKeyRBVJFMNKXVZQHY-UHFFFAOYSA-N
MW584.57 g/mol
LogP4.84
Rot. Bonds11

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

N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide (PubChem CID 71747643) has the molecular formula C26H27F3N2O8S and a molecular weight of 584.57 g/mol. Its IUPAC name is N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide
PubChem CID71747643
Molecular FormulaC26H27F3N2O8S
Molecular Weight584.57 g/mol
Exact Mass584.14
IUPAC NameN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(OC)c(COc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2N(C)S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C26H27F3N2O8S/c1-31(40(33,34)26(27,28)29)20-9-7-18(30-25(32)16-6-10-22(37-4)24(13-16)38-5)14-23(20)39-15-17-12-19(35-2)8-11-21(17)36-3/h6-14H,15H2,1-5H3,(H,30,32)
InChIKeyRBVJFMNKXVZQHY-UHFFFAOYSA-N
XLogP4.84
TPSA112.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide
CID 71747642
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-(3,4-dimethoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 34855718
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
4-[(3,4-difluorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)benzamide
CID 27537974
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide (CID 71747643) is N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide is COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2N(C)S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is RBVJFMNKXVZQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O8S/c1-31(40(33,34)26(27,28)29)20-9-7-18(30-25(32)16-6-10-22(37-4)24(13-16)38-5)14-23(20)39-15-17-12-19(35-2)8-11-21(17)36-3/h6-14H,15H2,1-5H3,(H,30,32).
What are the key properties of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide?
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 584.57 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 71747643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).