N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide

C24H27N3O6S — CID 5307909

About N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide (PubChem CID 5307909) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
• PubChem CID: 5307909
• Molecular Formula: C24H27N3O6S
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.16
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
• SMILES: Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1
• InChI: InChI=1S/C24H27N3O6S/c1-15(2)19-6-8-20(9-7-19)27(34(29,30)24-16(3)26-33-17(24)4)13-23(28)25-12-18-5-10-21-22(11-18)32-14-31-21/h5-11,15H,12-14H2,1-4H3,(H,25,28)
• InChIKey: GPAGJMNZMZGWHL-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 110.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide (CID 5307909) is N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide is Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?

The InChIKey is GPAGJMNZMZGWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-15(2)19-6-8-20(9-7-19)27(34(29,30)24-16(3)26-33-17(24)4)13-23(28)25-12-18-5-10-21-22(11-18)32-14-31-21/h5-11,15H,12-14H2,1-4H3,(H,25,28).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?

N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide has a molecular weight of 485.56 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide is sourced from PubChem (CID 5307909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).