3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide

C13H18F2N2O4S — CID 113147109

IUPAC3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C13H18F2N2O4S/c1-21-9-7-16-12(18)6-8-17(22(2,19)20)13-10(14)4-3-5-11(13)15/h3-5H,6-9H2,1-2H3,(H,16,18)
InChIKeyOTECMSKZIRBSEZ-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.88
Rot. Bonds8

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

3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 113147109) has the molecular formula C13H18F2N2O4S and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
PubChem CID113147109
Molecular FormulaC13H18F2N2O4S
Molecular Weight336.36 g/mol
Exact Mass336.10
IUPAC Name3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C13H18F2N2O4S/c1-21-9-7-16-12(18)6-8-17(22(2,19)20)13-10(14)4-3-5-11(13)15/h3-5H,6-9H2,1-2H3,(H,16,18)
InChIKeyOTECMSKZIRBSEZ-UHFFFAOYSA-N
XLogP0.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113147115
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide
CID 113072400
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113147134
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
3-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113143349
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113072438
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113147158
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113072410
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide (CID 113147109) is 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCN(c1c(F)cccc1F)S(C)(=O)=O.
What is the InChIKey of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is OTECMSKZIRBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O4S/c1-21-9-7-16-12(18)6-8-17(22(2,19)20)13-10(14)4-3-5-11(13)15/h3-5H,6-9H2,1-2H3,(H,16,18).
What are the key properties of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide?
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 336.36 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113147109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).