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

C22H25N3O5S — CID 5309297

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H25N3O5S/c1-14-10-15(2)12-19(11-14)25(31(27,28)22-16(3)24-30-17(22)4)13-21(26)23-18-6-8-20(29-5)9-7-18/h6-12H,13H2,1-5H3,(H,23,26)
InChIKeyAKALTBRLTUWUGI-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.75
Rot. Bonds7

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide (PubChem CID 5309297) 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]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide
PubChem CID5309297
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H25N3O5S/c1-14-10-15(2)12-19(11-14)25(31(27,28)22-16(3)24-30-17(22)4)13-21(26)23-18-6-8-20(29-5)9-7-18/h6-12H,13H2,1-5H3,(H,23,26)
InChIKeyAKALTBRLTUWUGI-UHFFFAOYSA-N
XLogP3.75
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide (CID 5309297) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is AKALTBRLTUWUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-14-10-15(2)12-19(11-14)25(31(27,28)22-16(3)24-30-17(22)4)13-21(26)23-18-6-8-20(29-5)9-7-18/h6-12H,13H2,1-5H3,(H,23,26).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 443.53 g/mol, XLogP of 3.75, 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]-3,5-dimethylanilino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 5309297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).