N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide

C24H23F3N2O5S — CID 58370227

IUPACN-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)nc1)C(=O)CS(C)(=O)=O
InChIInChI=1S/C24H23F3N2O5S/c1-23(2,20(30)14-35(3,32)33)29-22(31)18-10-9-16-6-4-5-7-17(16)21(18)34-13-15-8-11-19(28-12-15)24(25,26)27/h4-12H,13-14H2,1-3H3,(H,29,31)
InChIKeyCDIAYYPFYLPNGH-UHFFFAOYSA-N
MW508.52 g/mol
LogP3.95
Rot. Bonds8

About N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide

N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide (PubChem CID 58370227) has the molecular formula C24H23F3N2O5S and a molecular weight of 508.52 g/mol. Its IUPAC name is N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide
PubChem CID58370227
Molecular FormulaC24H23F3N2O5S
Molecular Weight508.52 g/mol
Exact Mass508.13
IUPAC NameN-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)nc1)C(=O)CS(C)(=O)=O
InChIInChI=1S/C24H23F3N2O5S/c1-23(2,20(30)14-35(3,32)33)29-22(31)18-10-9-16-6-4-5-7-17(16)21(18)34-13-15-8-11-19(28-12-15)24(25,26)27/h4-12H,13-14H2,1-3H3,(H,29,31)
InChIKeyCDIAYYPFYLPNGH-UHFFFAOYSA-N
XLogP3.95
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-(1',1',4-trioxospiro[3H-1,3-benzoxazine-2,4'-thiane]-7-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168269661
2-Methyl-2-[[1-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 11568201
1-[[1-[[6-(Trifluoromethyl)pyridin-3-yl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 11612274
2-Methyl-2-({1-[6-(2,2,2-trifluoro-ethoxy)-pyridin-3-ylmethoxy]-naphthalene-2-carbonyl}-amino)-propionic acid
CID 11648317
2-Methyl-2-({1-[6-(2,2,2-trifluoro-ethoxy)-pyridin-3-ylmethoxy]-naphtha-lene-2-carbonyl}-amino)-butyric acid
CID 23132816
2-Methyl-2-[[1-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 23132840
2-Methyl-2-[[1-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
CID 23132859
1-[[1-[[5-(Trifluoromethyl)pyridin-2-yl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 23132886
2-Methyl-2-[[1-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]butanoic acid
CID 25027641
2-Methyl-2-[[1-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]propanoic acid
CID 25027860
4-tert-butyl-N-(5-methylsulfonylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]oxybenzamide
CID 25261118
4-tert-butyl-N-(3-methylsulfonylphenyl)-2-[3-(trifluoromethyl)pyridin-2-yl]oxybenzamide
CID 25261139

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide?
The IUPAC name of N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide (CID 58370227) is N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide is CC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)nc1)C(=O)CS(C)(=O)=O.
What is the InChIKey of N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide?
The InChIKey is CDIAYYPFYLPNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O5S/c1-23(2,20(30)14-35(3,32)33)29-22(31)18-10-9-16-6-4-5-7-17(16)21(18)34-13-15-8-11-19(28-12-15)24(25,26)27/h4-12H,13-14H2,1-3H3,(H,29,31).
What are the key properties of N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide?
N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide has a molecular weight of 508.52 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-methylsulfonyl-3-oxobutan-2-yl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 58370227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).