2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide

C20H22N4O5S — CID 3244351

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H22N4O5S/c1-13-5-10-18(21-11-13)22-19(25)12-24(16-6-8-17(28-4)9-7-16)30(26,27)20-14(2)23-29-15(20)3/h5-11H,12H2,1-4H3,(H,21,22,25)
InChIKeyASJOYNQMBRENIS-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.84
Rot. Bonds7

About 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 3244351) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID3244351
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H22N4O5S/c1-13-5-10-18(21-11-13)22-19(25)12-24(16-6-8-17(28-4)9-7-16)30(26,27)20-14(2)23-29-15(20)3/h5-11H,12H2,1-4H3,(H,21,22,25)
InChIKeyASJOYNQMBRENIS-UHFFFAOYSA-N
XLogP2.84
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)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-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide (CID 3244351) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is ASJOYNQMBRENIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-13-5-10-18(21-11-13)22-19(25)12-24(16-6-8-17(28-4)9-7-16)30(26,27)20-14(2)23-29-15(20)3/h5-11H,12H2,1-4H3,(H,21,22,25).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 430.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 3244351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).