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

C28H25F3N2O6S — CID 71747823

IUPACN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(OC)c(COc2cc(NC(=O)c3ccc4ccccc4c3)ccc2N(C)S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C28H25F3N2O6S/c1-33(40(35,36)28(29,30)31)24-12-10-22(32-27(34)20-9-8-18-6-4-5-7-19(18)14-20)16-26(24)39-17-21-15-23(37-2)11-13-25(21)38-3/h4-16H,17H2,1-3H3,(H,32,34)
InChIKeyFWOFNFOINZWHDE-UHFFFAOYSA-N
MW574.58 g/mol
LogP5.97
Rot. Bonds9

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

N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide (PubChem CID 71747823) has the molecular formula C28H25F3N2O6S and a molecular weight of 574.58 g/mol. Its IUPAC name is N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide
PubChem CID71747823
Molecular FormulaC28H25F3N2O6S
Molecular Weight574.58 g/mol
Exact Mass574.14
IUPAC NameN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(OC)c(COc2cc(NC(=O)c3ccc4ccccc4c3)ccc2N(C)S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C28H25F3N2O6S/c1-33(40(35,36)28(29,30)31)24-12-10-22(32-27(34)20-9-8-18-6-4-5-7-19(18)14-20)16-26(24)39-17-21-15-23(37-2)11-13-25(21)38-3/h4-16H,17H2,1-3H3,(H,32,34)
InChIKeyFWOFNFOINZWHDE-UHFFFAOYSA-N
XLogP5.97
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.58
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide (CID 71747823) is N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide is COc1ccc(OC)c(COc2cc(NC(=O)c3ccc4ccccc4c3)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]naphthalene-2-carboxamide?
The InChIKey is FWOFNFOINZWHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O6S/c1-33(40(35,36)28(29,30)31)24-12-10-22(32-27(34)20-9-8-18-6-4-5-7-19(18)14-20)16-26(24)39-17-21-15-23(37-2)11-13-25(21)38-3/h4-16H,17H2,1-3H3,(H,32,34).
What are the key properties of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide?
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide has a molecular weight of 574.58 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 71747823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).