N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide

C21H23N3O5S — CID 1078109

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1C
InChIInChI=1S/C21H23N3O5S/c1-13-6-5-7-19(14(13)2)28-12-20(25)22-17-8-10-18(11-9-17)30(26,27)24-21-15(3)16(4)23-29-21/h5-11,24H,12H2,1-4H3,(H,22,25)
InChIKeyMDBDHVBWWBNOTF-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.73
Rot. Bonds7

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 1078109) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID1078109
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1C
InChIInChI=1S/C21H23N3O5S/c1-13-6-5-7-19(14(13)2)28-12-20(25)22-17-8-10-18(11-9-17)30(26,27)24-21-15(3)16(4)23-29-21/h5-11,24H,12H2,1-4H3,(H,22,25)
InChIKeyMDBDHVBWWBNOTF-UHFFFAOYSA-N
XLogP3.73
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide (CID 1078109) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is MDBDHVBWWBNOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-13-6-5-7-19(14(13)2)28-12-20(25)22-17-8-10-18(11-9-17)30(26,27)24-21-15(3)16(4)23-29-21/h5-11,24H,12H2,1-4H3,(H,22,25).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 429.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 1078109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).