N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide

C12H16F2N2O3S — CID 113072400

IUPACN-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide
SMILESCCC(=O)NCCN(c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C12H16F2N2O3S/c1-3-11(17)15-7-8-16(20(2,18)19)12-9(13)5-4-6-10(12)14/h4-6H,3,7-8H2,1-2H3,(H,15,17)
InChIKeyZNYDEAAFIRAIRH-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.26
Rot. Bonds6

About N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide

N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide (PubChem CID 113072400) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide
PubChem CID113072400
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC NameN-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide
SMILESCCC(=O)NCCN(c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C12H16F2N2O3S/c1-3-11(17)15-7-8-16(20(2,18)19)12-9(13)5-4-6-10(12)14/h4-6H,3,7-8H2,1-2H3,(H,15,17)
InChIKeyZNYDEAAFIRAIRH-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113072449
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113072438
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113072410
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113147109
3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113147115
N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157561
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113069302
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113147134
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069067
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113147158
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide?
The IUPAC name of N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide (CID 113072400) is N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide.
What is the SMILES notation for N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide?
The canonical SMILES for N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide is CCC(=O)NCCN(c1c(F)cccc1F)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide?
The InChIKey is ZNYDEAAFIRAIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-3-11(17)15-7-8-16(20(2,18)19)12-9(13)5-4-6-10(12)14/h4-6H,3,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide?
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide has a molecular weight of 306.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide is sourced from PubChem (CID 113072400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).