4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide

C14H18F2N2O3S — CID 75380083

IUPAC4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O3S/c1-18(2)14(20)4-3-7-22(21)9-13(19)17-12-6-5-10(15)8-11(12)16/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyAWXURNAISRTTSB-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.52
Rot. Bonds7

About 4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide

4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide (PubChem CID 75380083) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide
PubChem CID75380083
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC Name4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O3S/c1-18(2)14(20)4-3-7-22(21)9-13(19)17-12-6-5-10(15)8-11(12)16/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyAWXURNAISRTTSB-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide
CID 97225450
2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide
CID 95599619
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
CID 24792559
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide
CID 95599370
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide
CID 61288656
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide
CID 107753823
2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide?
The IUPAC name of 4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide (CID 75380083) is 4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide?
The canonical SMILES for 4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide is CN(C)C(=O)CCCS(=O)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide?
The InChIKey is AWXURNAISRTTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-18(2)14(20)4-3-7-22(21)9-13(19)17-12-6-5-10(15)8-11(12)16/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,19).
What are the key properties of 4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide?
4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide has a molecular weight of 332.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide is sourced from PubChem (CID 75380083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).