N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide

C14H21FN2O3S — CID 113154697

IUPACN-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-4-5-10-16(2)14(18)11-17(21(3,19)20)13-9-7-6-8-12(13)15/h6-9H,4-5,10-11H2,1-3H3
InChIKeyOQPJGBCPXTVKRJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.85
Rot. Bonds7

About N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide

N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 113154697) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID113154697
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-4-5-10-16(2)14(18)11-17(21(3,19)20)13-9-7-6-8-12(13)15/h6-9H,4-5,10-11H2,1-3H3
InChIKeyOQPJGBCPXTVKRJ-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide 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-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154116
N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154582
N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154880
N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113153840
N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 2209357
2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide
CID 99975396
methyl 4-[[2-[butyl(methyl)amino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156042
N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 3139233
N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113146626
(2R)-2-[benzyl-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-propylbutanamide
CID 100539027
2-[benzyl-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132622871

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide (CID 113154697) is N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide is CCCCN(C)C(=O)CN(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is OQPJGBCPXTVKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-4-5-10-16(2)14(18)11-17(21(3,19)20)13-9-7-6-8-12(13)15/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide?
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 316.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 113154697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).