2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C21H23N3O5S — CID 2114711

IUPAC2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C21H23N3O5S/c1-14-5-6-15(2)19(11-14)30(26,27)24(17-7-9-18(28-4)10-8-17)13-21(25)22-20-12-16(3)29-23-20/h5-12H,13H2,1-4H3,(H,22,23,25)
InChIKeyPMOWBYMLWAUTHE-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.44
Rot. Bonds7

About 2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2114711) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2114711
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C21H23N3O5S/c1-14-5-6-15(2)19(11-14)30(26,27)24(17-7-9-18(28-4)10-8-17)13-21(25)22-20-12-16(3)29-23-20/h5-12H,13H2,1-4H3,(H,22,23,25)
InChIKeyPMOWBYMLWAUTHE-UHFFFAOYSA-N
XLogP3.44
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)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 2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2114711) is 2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is PMOWBYMLWAUTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14-5-6-15(2)19(11-14)30(26,27)24(17-7-9-18(28-4)10-8-17)13-21(25)22-20-12-16(3)29-23-20/h5-12H,13H2,1-4H3,(H,22,23,25).
What are the key properties of 2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 429.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2114711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).