2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C21H23N3O5S — CID 24818185

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H23N3O5S/c1-14-19(15(2)29-24-14)13-28-20-6-4-3-5-18(20)21(25)23-12-11-16-7-9-17(10-8-16)30(22,26)27/h3-10H,11-13H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyIPNKZNDDUSKIPF-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.49
Rot. Bonds8

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 24818185) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID24818185
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H23N3O5S/c1-14-19(15(2)29-24-14)13-28-20-6-4-3-5-18(20)21(25)23-12-11-16-7-9-17(10-8-16)30(22,26)27/h3-10H,11-13H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyIPNKZNDDUSKIPF-UHFFFAOYSA-N
XLogP2.49
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 24818185) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is IPNKZNDDUSKIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14-19(15(2)29-24-14)13-28-20-6-4-3-5-18(20)21(25)23-12-11-16-7-9-17(10-8-16)30(22,26)27/h3-10H,11-13H2,1-2H3,(H,23,25)(H2,22,26,27).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 24818185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).