N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide

C13H18F2N2O3S — CID 113157561

IUPACN-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C13H18F2N2O3S/c1-4-9(2)16-12(18)8-17(21(3,19)20)13-10(14)6-5-7-11(13)15/h5-7,9H,4,8H2,1-3H3,(H,16,18)
InChIKeyTVYGYVIMKCNCGK-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.65
Rot. Bonds6

About N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide

N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide (PubChem CID 113157561) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
PubChem CID113157561
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC NameN-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C13H18F2N2O3S/c1-4-9(2)16-12(18)8-17(21(3,19)20)13-10(14)6-5-7-11(13)15/h5-7,9H,4,8H2,1-3H3,(H,16,18)
InChIKeyTVYGYVIMKCNCGK-UHFFFAOYSA-N
XLogP1.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 3138299
N-[(2R)-butan-2-yl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 124748964
2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
CID 47409304
N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 7438945
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2889765
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide
CID 113072400
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2271012

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide (CID 113157561) is N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide is CCC(C)NC(=O)CN(c1c(F)cccc1F)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is TVYGYVIMKCNCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-4-9(2)16-12(18)8-17(21(3,19)20)13-10(14)6-5-7-11(13)15/h5-7,9H,4,8H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide?
N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 320.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113157561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).