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

C18H19N3O5S — CID 42212950

IUPACN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2ccco2)c(C)o1
InChIInChI=1S/C18H19N3O5S/c1-3-27(23,24)21-14-8-5-4-7-13(14)18-20-15(12(2)26-18)11-19-17(22)16-9-6-10-25-16/h4-10,21H,3,11H2,1-2H3,(H,19,22)
InChIKeyNDQXWQONFKXFML-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.93
Rot. Bonds7

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

N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide (PubChem CID 42212950) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
PubChem CID42212950
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2ccco2)c(C)o1
InChIInChI=1S/C18H19N3O5S/c1-3-27(23,24)21-14-8-5-4-7-13(14)18-20-15(12(2)26-18)11-19-17(22)16-9-6-10-25-16/h4-10,21H,3,11H2,1-2H3,(H,19,22)
InChIKeyNDQXWQONFKXFML-UHFFFAOYSA-N
XLogP2.93
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.93
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]-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]pyridine-3-carboxamide
CID 42407871
2-(1,3-benzodioxol-5-yl)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 42170727
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170798
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 42276755
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42165488
(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-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide
CID 42170789
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 26341266
methyl 4-[[5-methyl-2-[2-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methylamino]-4-oxobutanoate
CID 42455839

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide (CID 42212950) is N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide is CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2ccco2)c(C)o1.
What is the InChIKey of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide?
The InChIKey is NDQXWQONFKXFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-3-27(23,24)21-14-8-5-4-7-13(14)18-20-15(12(2)26-18)11-19-17(22)16-9-6-10-25-16/h4-10,21H,3,11H2,1-2H3,(H,19,22).
What are the key properties of N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide?
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 2.93, 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]furan-2-carboxamide is sourced from PubChem (CID 42212950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).