2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

C16H18FN3O3S — CID 53281365

IUPAC2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H18FN3O3S/c1-12(16(21)19-11-13-4-3-9-18-10-13)20(24(2,22)23)15-7-5-14(17)6-8-15/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyQQHNEMAONMCNMX-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.69
Rot. Bonds6

About 2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 53281365) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID53281365
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H18FN3O3S/c1-12(16(21)19-11-13-4-3-9-18-10-13)20(24(2,22)23)15-7-5-14(17)6-8-15/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyQQHNEMAONMCNMX-UHFFFAOYSA-N
XLogP1.69
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 2979813
N-[[4-(diethylamino)phenyl]methyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133187050
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 124561221
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 28636247
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 1079324
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 40690950
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561228
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 99131849
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875
2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53281344

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 53281365) is 2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is CC(C(=O)NCc1cccnc1)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is QQHNEMAONMCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-12(16(21)19-11-13-4-3-9-18-10-13)20(24(2,22)23)15-7-5-14(17)6-8-15/h3-10,12H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 351.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 53281365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).