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

C21H22FN3O5S — CID 20858882

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)c(F)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H22FN3O5S/c1-13-5-6-16(11-19(13)22)23-20(26)12-25(17-7-9-18(29-4)10-8-17)31(27,28)21-14(2)24-30-15(21)3/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyAKLZEVSDXRDPNZ-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.58
Rot. Bonds7

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 20858882) has the molecular formula C21H22FN3O5S and a molecular weight of 447.49 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID20858882
Molecular FormulaC21H22FN3O5S
Molecular Weight447.49 g/mol
Exact Mass447.13
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)c(F)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H22FN3O5S/c1-13-5-6-16(11-19(13)22)23-20(26)12-25(17-7-9-18(29-4)10-8-17)31(27,28)21-14(2)24-30-15(21)3/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyAKLZEVSDXRDPNZ-UHFFFAOYSA-N
XLogP3.58
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)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-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide (CID 20858882) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(C)c(F)c2)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-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is AKLZEVSDXRDPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O5S/c1-13-5-6-16(11-19(13)22)23-20(26)12-25(17-7-9-18(29-4)10-8-17)31(27,28)21-14(2)24-30-15(21)3/h5-11H,12H2,1-4H3,(H,23,26).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 447.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 20858882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).