N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

C17H19F2N3O4S — CID 7828891

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O4S/c1-11(14-6-4-12(18)8-15(14)19)20-16(23)10-22-9-13(5-7-17(22)24)27(25,26)21(2)3/h4-9,11H,10H2,1-3H3,(H,20,23)/t11-/m1/s1
InChIKeyLKMILYUFXZKNTF-LLVKDONJSA-N
MW399.42 g/mol
LogP1.25
Rot. Bonds6

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (PubChem CID 7828891) has the molecular formula C17H19F2N3O4S and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
PubChem CID7828891
Molecular FormulaC17H19F2N3O4S
Molecular Weight399.42 g/mol
Exact Mass399.11
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O4S/c1-11(14-6-4-12(18)8-15(14)19)20-16(23)10-22-9-13(5-7-17(22)24)27(25,26)21(2)3/h4-9,11H,10H2,1-3H3,(H,20,23)/t11-/m1/s1
InChIKeyLKMILYUFXZKNTF-LLVKDONJSA-N
XLogP1.25
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7828878
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-difluorophenyl)acetamide
CID 7252313
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7829073
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7829072
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 7828901
2-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7829051
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7828980
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 7828884
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
N-(4-chloro-2-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7828841
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N,N-bis(2-methylpropyl)acetamide
CID 7828894

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (CID 7828891) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is LKMILYUFXZKNTF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19F2N3O4S/c1-11(14-6-4-12(18)8-15(14)19)20-16(23)10-22-9-13(5-7-17(22)24)27(25,26)21(2)3/h4-9,11H,10H2,1-3H3,(H,20,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 399.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 7828891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).