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

C22H25N3O5S — CID 15991005

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H25N3O5S/c1-15-5-9-19(10-6-15)25(31(27,28)22-16(2)24-30-17(22)3)14-21(26)23-13-18-7-11-20(29-4)12-8-18/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyCJCFSNMRHZQGGY-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.12
Rot. Bonds8

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 15991005) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID15991005
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H25N3O5S/c1-15-5-9-19(10-6-15)25(31(27,28)22-16(2)24-30-17(22)3)14-21(26)23-13-18-7-11-20(29-4)12-8-18/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyCJCFSNMRHZQGGY-UHFFFAOYSA-N
XLogP3.12
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]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-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 15991005) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is CJCFSNMRHZQGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-15-5-9-19(10-6-15)25(31(27,28)22-16(2)24-30-17(22)3)14-21(26)23-13-18-7-11-20(29-4)12-8-18/h5-12H,13-14H2,1-4H3,(H,23,26).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 3.12, 8 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-methylanilino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 15991005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).