3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide

C17H18F2N2O3S — CID 113143416

IUPAC3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccccc1F)c1ccccc1F
InChIInChI=1S/C17H18F2N2O3S/c1-25(23,24)21(16-9-5-4-8-15(16)19)11-10-17(22)20-12-13-6-2-3-7-14(13)18/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyCMIFBFOFCZIARG-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.44
Rot. Bonds7

About 3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide

3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 113143416) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID113143416
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccccc1F)c1ccccc1F
InChIInChI=1S/C17H18F2N2O3S/c1-25(23,24)21(16-9-5-4-8-15(16)19)11-10-17(22)20-12-13-6-2-3-7-14(13)18/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyCMIFBFOFCZIARG-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113144057
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142476
3-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142916
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143427
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 3594757
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113156780
4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide
CID 53287962

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide (CID 113143416) is 3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide is CS(=O)(=O)N(CCC(=O)NCc1ccccc1F)c1ccccc1F.
What is the InChIKey of 3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is CMIFBFOFCZIARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-25(23,24)21(16-9-5-4-8-15(16)19)11-10-17(22)20-12-13-6-2-3-7-14(13)18/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 368.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113143416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).