N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide

C23H22N4O4S — CID 18439744

IUPACN-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4ccccn4)c3)o2)c1
InChIInChI=1S/C23H22N4O4S/c1-3-26-32(28,29)18-10-11-21(30-2)20(14-18)27-23-25-15-22(31-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15,26H,3H2,1-2H3,(H,25,27)
InChIKeyQXTAZFLGCLFKID-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.45
Rot. Bonds8

About N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide

N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide (PubChem CID 18439744) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
PubChem CID18439744
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4ccccn4)c3)o2)c1
InChIInChI=1S/C23H22N4O4S/c1-3-26-32(28,29)18-10-11-21(30-2)20(14-18)27-23-25-15-22(31-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15,26H,3H2,1-2H3,(H,25,27)
InChIKeyQXTAZFLGCLFKID-UHFFFAOYSA-N
XLogP4.45
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(2-phenylpyrimidin-4-yl)phenyl]-1,3-oxazol-2-amine
CID 18439730
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(3-fluorophenyl)phenyl]-1,3-oxazol-2-amine
CID 18439732
4-methoxy-N,N-dimethyl-3-[[5-(3-phenylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide
CID 18439663
[3-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]phenyl] benzoate
CID 18439660
3-(dimethylamino)-1-[3-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]phenyl]prop-2-en-1-one
CID 69456888
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(oxolan-3-yloxy)phenyl]-1,3-oxazol-2-amine
CID 18439737
4-methoxy-3-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 142884261
4-[3-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]phenyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 10099946
N-[5-ethylsulfonyl-2-[2-(triazol-1-yl)ethoxy]phenyl]-5-phenyl-1,3-oxazol-2-amine
CID 10048827
N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine
CID 142884270
N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329848
3-chloro-4-methoxy-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318627

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide (CID 18439744) is N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4ccccn4)c3)o2)c1.
What is the InChIKey of N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide?
The InChIKey is QXTAZFLGCLFKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-3-26-32(28,29)18-10-11-21(30-2)20(14-18)27-23-25-15-22(31-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15,26H,3H2,1-2H3,(H,25,27).
What are the key properties of N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide?
N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide has a molecular weight of 450.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-3-[[5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 18439744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).