3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide

C16H17F2N3O3S — CID 113147134

IUPAC3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccncc1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N3O3S/c1-25(23,24)21(16-13(17)3-2-4-14(16)18)10-7-15(22)20-11-12-5-8-19-9-6-12/h2-6,8-9H,7,10-11H2,1H3,(H,20,22)
InChIKeyYWZJFCSCXFWUCI-UHFFFAOYSA-N
MW369.39 g/mol
LogP1.83
Rot. Bonds7

About 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide

3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113147134) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113147134
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC Name3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccncc1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N3O3S/c1-25(23,24)21(16-13(17)3-2-4-14(16)18)10-7-15(22)20-11-12-5-8-19-9-6-12/h2-6,8-9H,7,10-11H2,1H3,(H,20,22)
InChIKeyYWZJFCSCXFWUCI-UHFFFAOYSA-N
XLogP1.83
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113141907
3-(2-ethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113142705
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113147109
3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113147115
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113145026
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142476
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138116
3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144884
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144201
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138358
N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide (CID 113147134) is 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide is CS(=O)(=O)N(CCC(=O)NCc1ccncc1)c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is YWZJFCSCXFWUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-25(23,24)21(16-13(17)3-2-4-14(16)18)10-7-15(22)20-11-12-5-8-19-9-6-12/h2-6,8-9H,7,10-11H2,1H3,(H,20,22).
What are the key properties of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 369.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113147134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).