N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide

C13H18F2N2O3S — CID 113072460

IUPACN-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide
SMILESCCCC(=O)NCCN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C13H18F2N2O3S/c1-3-4-13(18)16-7-8-17(21(2,19)20)10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyDRBOLJUWPXPJAN-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.65
Rot. Bonds7

About N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide

N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide (PubChem CID 113072460) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide
PubChem CID113072460
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC NameN-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide
SMILESCCCC(=O)NCCN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C13H18F2N2O3S/c1-3-4-13(18)16-7-8-17(21(2,19)20)10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyDRBOLJUWPXPJAN-UHFFFAOYSA-N
XLogP1.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide 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

N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113072464
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide
CID 113071629
N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide
CID 113071066
N-[2-(4-chlorophenyl)sulfanylethyl]-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 100654278
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylhexyl)butanamide
CID 133202028
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)butanamide
CID 100578695
4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
CID 53287713
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 9172892
2-[4-(3,4-difluoro-N-methylsulfonylanilino)butanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132683455
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-propylacetamide
CID 2226135

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide?
The IUPAC name of N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide (CID 113072460) is N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide.
What is the SMILES notation for N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide?
The canonical SMILES for N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide is CCCC(=O)NCCN(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide?
The InChIKey is DRBOLJUWPXPJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-3-4-13(18)16-7-8-17(21(2,19)20)10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide?
N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide has a molecular weight of 320.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide is sourced from PubChem (CID 113072460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).