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

C24H21N3O6S — CID 100507780

IUPAC2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c(OC)c1
InChIInChI=1S/C24H21N3O6S/c1-31-16-9-12-20(21(13-16)32-2)22-14-26-24(33-22)19-6-4-3-5-18(19)23(28)27-15-7-10-17(11-8-15)34(25,29)30/h3-14H,1-2H3,(H,27,28)(H2,25,29,30)
InChIKeyCNAJHFNCHUNWIU-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.93
Rot. Bonds7

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

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide (PubChem CID 100507780) has the molecular formula C24H21N3O6S and a molecular weight of 479.51 g/mol. Its IUPAC name is 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
PubChem CID100507780
Molecular FormulaC24H21N3O6S
Molecular Weight479.51 g/mol
Exact Mass479.12
IUPAC Name2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c(OC)c1
InChIInChI=1S/C24H21N3O6S/c1-31-16-9-12-20(21(13-16)32-2)22-14-26-24(33-22)19-6-4-3-5-18(19)23(28)27-15-7-10-17(11-8-15)34(25,29)30/h3-14H,1-2H3,(H,27,28)(H2,25,29,30)
InChIKeyCNAJHFNCHUNWIU-UHFFFAOYSA-N
XLogP3.93
TPSA133.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100506960
N-(3,4-dimethoxyphenyl)-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100507661
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
CID 100507572
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 100508304
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100504854
N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508470
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508362
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
CID 1010247
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150106
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide (CID 100507780) is 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide is COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c(OC)c1.
What is the InChIKey of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is CNAJHFNCHUNWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6S/c1-31-16-9-12-20(21(13-16)32-2)22-14-26-24(33-22)19-6-4-3-5-18(19)23(28)27-15-7-10-17(11-8-15)34(25,29)30/h3-14H,1-2H3,(H,27,28)(H2,25,29,30).
What are the key properties of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide?
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 479.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 100507780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).