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

C22H25N3O6S — CID 4533699

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H25N3O6S/c1-14-19(15(2)31-25-14)13-30-20-9-6-17(12-21(20)29-3)22(26)24-11-10-16-4-7-18(8-5-16)32(23,27)28/h4-9,12H,10-11,13H2,1-3H3,(H,24,26)(H2,23,27,28)
InChIKeyQZNGUKKKTIIIDM-UHFFFAOYSA-N
MW459.52 g/mol
LogP2.50
Rot. Bonds9

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 4533699) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID4533699
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H25N3O6S/c1-14-19(15(2)31-25-14)13-30-20-9-6-17(12-21(20)29-3)22(26)24-11-10-16-4-7-18(8-5-16)32(23,27)28/h4-9,12H,10-11,13H2,1-3H3,(H,24,26)(H2,23,27,28)
InChIKeyQZNGUKKKTIIIDM-UHFFFAOYSA-N
XLogP2.50
TPSA133.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 4533699) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is COc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is QZNGUKKKTIIIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-14-19(15(2)31-25-14)13-30-20-9-6-17(12-21(20)29-3)22(26)24-11-10-16-4-7-18(8-5-16)32(23,27)28/h4-9,12H,10-11,13H2,1-3H3,(H,24,26)(H2,23,27,28).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 459.52 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 4533699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).