2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide

C19H22F2N2O3S — CID 113154460

IUPAC2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCCc1cccc(CC)c1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H22F2N2O3S/c1-4-13-7-6-8-14(5-2)19(13)23(27(3,25)26)12-18(24)22-15-9-10-16(20)17(21)11-15/h6-11H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyQFXLDBUZXNIBSC-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.49
Rot. Bonds7

About 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide

2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide (PubChem CID 113154460) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
PubChem CID113154460
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCCc1cccc(CC)c1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H22F2N2O3S/c1-4-13-7-6-8-14(5-2)19(13)23(27(3,25)26)12-18(24)22-15-9-10-16(20)17(21)11-15/h6-11H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyQFXLDBUZXNIBSC-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113155767
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157653
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 53280656
N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113157714
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
N-(1,3-benzodioxol-5-yl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157671
N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156712
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113154437
N-(3,5-dichlorophenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 9173126
2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169203
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113157658
N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide
CID 30857477

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide (CID 113154460) is 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide is CCc1cccc(CC)c1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is QFXLDBUZXNIBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-4-13-7-6-8-14(5-2)19(13)23(27(3,25)26)12-18(24)22-15-9-10-16(20)17(21)11-15/h6-11H,4-5,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide?
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 396.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 113154460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).