N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide

C17H17F3N2O3S — CID 113072438

IUPACN-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)c1c(F)cccc1F
InChIInChI=1S/C17H17F3N2O3S/c1-26(24,25)22(17-14(19)6-3-7-15(17)20)9-8-21-16(23)11-12-4-2-5-13(18)10-12/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyQVZTWOJELNIRRK-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.23
Rot. Bonds7

About N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide

N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113072438) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113072438
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)c1c(F)cccc1F
InChIInChI=1S/C17H17F3N2O3S/c1-26(24,25)22(17-14(19)6-3-7-15(17)20)9-8-21-16(23)11-12-4-2-5-13(18)10-12/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyQVZTWOJELNIRRK-UHFFFAOYSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide 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-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069067
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069002
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069197
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113068872
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide
CID 113072400
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113072410
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113071662
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113067077
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065842
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113147109
1-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113072449

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide (CID 113072438) is N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide is CS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)c1c(F)cccc1F.
What is the InChIKey of N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is QVZTWOJELNIRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-26(24,25)22(17-14(19)6-3-7-15(17)20)9-8-21-16(23)11-12-4-2-5-13(18)10-12/h2-7,10H,8-9,11H2,1H3,(H,21,23).
What are the key properties of N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 386.40 g/mol, XLogP of 2.23, 7 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]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113072438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).