1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide

C23H24F6N2O2S — CID 10118142

IUPAC1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide
SMILESCSCC(C)(C)NC(=O)c1ccccc1C(=O)Nc1ccc(C(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C23H24F6N2O2S/c1-13-11-14(18(22(24,25)26)23(27,28)29)9-10-17(13)30-19(32)15-7-5-6-8-16(15)20(33)31-21(2,3)12-34-4/h5-11,18H,12H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyDLUNQMIGFRZCDF-UHFFFAOYSA-N
MW506.51 g/mol
LogP6.33
Rot. Bonds7

About 1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide

1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide (PubChem CID 10118142) has the molecular formula C23H24F6N2O2S and a molecular weight of 506.51 g/mol. Its IUPAC name is 1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide
PubChem CID10118142
Molecular FormulaC23H24F6N2O2S
Molecular Weight506.51 g/mol
Exact Mass506.15
IUPAC Name1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide
SMILESCSCC(C)(C)NC(=O)c1ccccc1C(=O)Nc1ccc(C(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C23H24F6N2O2S/c1-13-11-14(18(22(24,25)26)23(27,28)29)9-10-17(13)30-19(32)15-7-5-6-8-16(15)20(33)31-21(2,3)12-34-4/h5-11,18H,12H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyDLUNQMIGFRZCDF-UHFFFAOYSA-N
XLogP6.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.51
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)-1-N-[2-methyl-4-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]phenyl]benzene-1,2-dicarboxamide
CID 59210411
2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide
CID 141307240
N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-[hydroxy-[(2-methyl-1-methylsulfanylpropan-2-yl)amino]methyl]-3-iodobenzamide
CID 163591034
N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 22066223
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631177
3-(2-methyl-1-methylsulfanylpropan-2-yl)-1-N-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]benzene-1,2-dicarboxamide
CID 87460673
3-iodo-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)-1-N-[2-methyl-4-[[5-oxo-4-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]phenyl]benzene-1,2-dicarboxamide
CID 10055687
2-[[4-[4-[(2-carboxylatobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoate
CID 6962175
1-N-[5-(2,2-dichloroacetyl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)-3-nitrobenzene-1,2-dicarboxamide
CID 141384497
3-fluoro-1-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide
CID 142678346
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide (CID 10118142) is 1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide is CSCC(C)(C)NC(=O)c1ccccc1C(=O)Nc1ccc(C(C(F)(F)F)C(F)(F)F)cc1C.
What is the InChIKey of 1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide?
The InChIKey is DLUNQMIGFRZCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O2S/c1-13-11-14(18(22(24,25)26)23(27,28)29)9-10-17(13)30-19(32)15-7-5-6-8-16(15)20(33)31-21(2,3)12-34-4/h5-11,18H,12H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of 1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide?
1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide has a molecular weight of 506.51 g/mol, XLogP of 6.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 10118142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).