3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide

C19H22F2N2O3S — CID 113146396

IUPAC3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN(c2ccc(F)cc2F)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H22F2N2O3S/c1-12-9-13(2)19(14(3)10-12)22-18(24)7-8-23(27(4,25)26)17-6-5-15(20)11-16(17)21/h5-6,9-11H,7-8H2,1-4H3,(H,22,24)
InChIKeyFJCDFQKBHHDVEL-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.68
Rot. Bonds6

About 3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide

3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 113146396) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID113146396
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN(c2ccc(F)cc2F)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H22F2N2O3S/c1-12-9-13(2)19(14(3)10-12)22-18(24)7-8-23(27(4,25)26)17-6-5-15(20)11-16(17)21/h5-6,9-11H,7-8H2,1-4H3,(H,22,24)
InChIKeyFJCDFQKBHHDVEL-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113146355
N-butyl-3-(2,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113146327
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
CID 113142084
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113142405
N-(3,4-difluorophenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143195
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
3-(2,4-difluoro-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113146418
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156816
N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
CID 113141830

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide (CID 113146396) is 3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)CCN(c2ccc(F)cc2F)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is FJCDFQKBHHDVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-12-9-13(2)19(14(3)10-12)22-18(24)7-8-23(27(4,25)26)17-6-5-15(20)11-16(17)21/h5-6,9-11H,7-8H2,1-4H3,(H,22,24).
What are the key properties of 3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 396.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 113146396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).