N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C22H25N3O4S — CID 56529971

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)on2)cc1
InChIInChI=1S/C22H25N3O4S/c1-5-16-9-11-17(12-10-16)20-14-21(29-24-20)23-22(26)18-7-6-8-19(13-18)30(27,28)25(4)15(2)3/h6-15H,5H2,1-4H3,(H,23,26)
InChIKeyQGLWDNMCDWFPKX-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.19
Rot. Bonds7

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 56529971) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID56529971
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCCc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)on2)cc1
InChIInChI=1S/C22H25N3O4S/c1-5-16-9-11-17(12-10-16)20-14-21(29-24-20)23-22(26)18-7-6-8-19(13-18)30(27,28)25(4)15(2)3/h6-15H,5H2,1-4H3,(H,23,26)
InChIKeyQGLWDNMCDWFPKX-UHFFFAOYSA-N
XLogP4.19
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 56529969
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 56544885
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
[2-(4-ethylphenyl)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753639
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
N-(3,5-dimethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26696266
2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56569965
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 56529971) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is CCc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is QGLWDNMCDWFPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-5-16-9-11-17(12-10-16)20-14-21(29-24-20)23-22(26)18-7-6-8-19(13-18)30(27,28)25(4)15(2)3/h6-15H,5H2,1-4H3,(H,23,26).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 427.53 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 56529971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).