N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide

C19H20N4O4S — CID 42407871

IUPACN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2cccnc2)c(C)o1
InChIInChI=1S/C19H20N4O4S/c1-3-28(25,26)23-16-9-5-4-8-15(16)19-22-17(13(2)27-19)12-21-18(24)14-7-6-10-20-11-14/h4-11,23H,3,12H2,1-2H3,(H,21,24)
InChIKeyHYIJYODQRHMZQH-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.74
Rot. Bonds7

About N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide

N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 42407871) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
PubChem CID42407871
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2cccnc2)c(C)o1
InChIInChI=1S/C19H20N4O4S/c1-3-28(25,26)23-16-9-5-4-8-15(16)19-22-17(13(2)27-19)12-21-18(24)14-7-6-10-20-11-14/h4-11,23H,3,12H2,1-2H3,(H,21,24)
InChIKeyHYIJYODQRHMZQH-UHFFFAOYSA-N
XLogP2.74
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42212950
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 42431882
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 118756637
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 42276755
2-(1,3-benzodioxol-5-yl)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 42170727
N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide
CID 118755607
(3R)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 42483984
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]thiophene-2-carboxamide
CID 26353453
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170798
N-[[2-(2-acetamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-pyrazol-1-ylbenzamide
CID 42321965
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42165488
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30332842

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide (CID 42407871) is N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide is CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2cccnc2)c(C)o1.
What is the InChIKey of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is HYIJYODQRHMZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-28(25,26)23-16-9-5-4-8-15(16)19-22-17(13(2)27-19)12-21-18(24)14-7-6-10-20-11-14/h4-11,23H,3,12H2,1-2H3,(H,21,24).
What are the key properties of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide?
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 42407871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).