3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide

C20H24N2O4S — CID 110616156

About 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide

3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 110616156) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

• Compound Name: 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
• PubChem CID: 110616156
• Molecular Formula: C20H24N2O4S
• Molecular Weight: 388.49 g/mol
• Exact Mass: 388.15
• IUPAC Name: 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
• SMILES: CCn1c(=O)oc2cc(S(=O)(=O)NC(C)(C)Cc3ccc(C)cc3)ccc21
• InChI: InChI=1S/C20H24N2O4S/c1-5-22-17-11-10-16(12-18(17)26-19(22)23)27(24,25)21-20(3,4)13-15-8-6-14(2)7-9-15/h6-12,21H,5,13H2,1-4H3
• InChIKey: WCBIOMFGLMEZST-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 81.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.49
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?

The IUPAC name of 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 110616156) is 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

What is the SMILES notation for 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?

The canonical SMILES for 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide is CCn1c(=O)oc2cc(S(=O)(=O)NC(C)(C)Cc3ccc(C)cc3)ccc21.

What is the InChIKey of 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?

The InChIKey is WCBIOMFGLMEZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-5-22-17-11-10-16(12-18(17)26-19(22)23)27(24,25)21-20(3,4)13-15-8-6-14(2)7-9-15/h6-12,21H,5,13H2,1-4H3.

What are the key properties of 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?

3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110616156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).