3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide

C16H17F2N3O3S — CID 110674432

IUPAC3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(CS(=O)(=O)Nc1ccc(F)cc1F)C(=O)NCc1cccnc1
InChIInChI=1S/C16H17F2N3O3S/c1-11(16(22)20-9-12-3-2-6-19-8-12)10-25(23,24)21-15-5-4-13(17)7-14(15)18/h2-8,11,21H,9-10H2,1H3,(H,20,22)
InChIKeyXKLFYMGRPWBHBV-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.05
Rot. Bonds7

About 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide

3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 110674432) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID110674432
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC Name3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(CS(=O)(=O)Nc1ccc(F)cc1F)C(=O)NCc1cccnc1
InChIInChI=1S/C16H17F2N3O3S/c1-11(16(22)20-9-12-3-2-6-19-8-12)10-25(23,24)21-15-5-4-13(17)7-14(15)18/h2-8,11,21H,9-10H2,1H3,(H,20,22)
InChIKeyXKLFYMGRPWBHBV-UHFFFAOYSA-N
XLogP2.05
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963619
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106077
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 53281365
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43891317
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide (CID 110674432) is 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide is CC(CS(=O)(=O)Nc1ccc(F)cc1F)C(=O)NCc1cccnc1.
What is the InChIKey of 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is XKLFYMGRPWBHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-11(16(22)20-9-12-3-2-6-19-8-12)10-25(23,24)21-15-5-4-13(17)7-14(15)18/h2-8,11,21H,9-10H2,1H3,(H,20,22).
What are the key properties of 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 369.39 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 110674432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).