N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

C17H19F2N3O4S — CID 91903338

IUPACN-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NCc2cc(F)ccc2F)c1=O
InChIInChI=1S/C17H19F2N3O4S/c1-3-27(25,26)21-15-7-4-11(2)22(17(15)24)10-16(23)20-9-12-8-13(18)5-6-14(12)19/h4-8,21H,3,9-10H2,1-2H3,(H,20,23)
InChIKeyVMQQAMMEJNAKMB-UHFFFAOYSA-N
MW399.42 g/mol
LogP1.51
Rot. Bonds7

About N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 91903338) has the molecular formula C17H19F2N3O4S and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID91903338
Molecular FormulaC17H19F2N3O4S
Molecular Weight399.42 g/mol
Exact Mass399.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NCc2cc(F)ccc2F)c1=O
InChIInChI=1S/C17H19F2N3O4S/c1-3-27(25,26)21-15-7-4-11(2)22(17(15)24)10-16(23)20-9-12-8-13(18)5-6-14(12)19/h4-8,21H,3,9-10H2,1-2H3,(H,20,23)
InChIKeyVMQQAMMEJNAKMB-UHFFFAOYSA-N
XLogP1.51
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 91903338) is N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is CCS(=O)(=O)Nc1ccc(C)n(CC(=O)NCc2cc(F)ccc2F)c1=O.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is VMQQAMMEJNAKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O4S/c1-3-27(25,26)21-15-7-4-11(2)22(17(15)24)10-16(23)20-9-12-8-13(18)5-6-14(12)19/h4-8,21H,3,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 399.42 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-[3-(ethylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 91903338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).