N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide

C22H17N3O5S — CID 4250202

IUPACN-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=C/c2nc(-c3cccc4ccccc34)oc2O)cc1
InChIInChI=1S/C22H17N3O5S/c1-14(26)25-31(28,29)17-11-9-16(10-12-17)23-13-20-22(27)30-21(24-20)19-8-4-6-15-5-2-3-7-18(15)19/h2-13,27H,1H3,(H,25,26)/b23-13+
InChIKeyBNNZHYGTHCAXDM-YDZHTSKRSA-N
MW435.46 g/mol
LogP3.78
Rot. Bonds5

About N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide

N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide (PubChem CID 4250202) has the molecular formula C22H17N3O5S and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide
PubChem CID4250202
Molecular FormulaC22H17N3O5S
Molecular Weight435.46 g/mol
Exact Mass435.09
IUPAC NameN-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=C/c2nc(-c3cccc4ccccc34)oc2O)cc1
InChIInChI=1S/C22H17N3O5S/c1-14(26)25-31(28,29)17-11-9-16(10-12-17)23-13-20-22(27)30-21(24-20)19-8-4-6-15-5-2-3-7-18(15)19/h2-13,27H,1H3,(H,25,26)/b23-13+
InChIKeyBNNZHYGTHCAXDM-YDZHTSKRSA-N
XLogP3.78
TPSA121.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide (CID 4250202) is N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(/N=C/c2nc(-c3cccc4ccccc34)oc2O)cc1.
What is the InChIKey of N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide?
The InChIKey is BNNZHYGTHCAXDM-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H17N3O5S/c1-14(26)25-31(28,29)17-11-9-16(10-12-17)23-13-20-22(27)30-21(24-20)19-8-4-6-15-5-2-3-7-18(15)19/h2-13,27H,1H3,(H,25,26)/b23-13+.
What are the key properties of N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide?
N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide has a molecular weight of 435.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-hydroxy-2-naphthalen-1-yl-1,3-oxazol-4-yl)methylideneamino]phenyl]sulfonylacetamide is sourced from PubChem (CID 4250202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).