N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C24H24N2O5S — CID 53280784

About N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 53280784) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 53280784
• Molecular Formula: C24H24N2O5S
• Molecular Weight: 452.53 g/mol
• Exact Mass: 452.14
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: COc1cccc(CNC(=O)C2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)c1
• InChI: InChI=1S/C24H24N2O5S/c1-17-10-12-20(13-11-17)32(28,29)26-16-23(31-22-9-4-3-8-21(22)26)24(27)25-15-18-6-5-7-19(14-18)30-2/h3-14,23H,15-16H2,1-2H3,(H,25,27)
• InChIKey: UGLKKQODWKNCTG-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.53
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 53280784) is N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is COc1cccc(CNC(=O)C2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is UGLKKQODWKNCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-17-10-12-20(13-11-17)32(28,29)26-16-23(31-22-9-4-3-8-21(22)26)24(27)25-15-18-6-5-7-19(14-18)30-2/h3-14,23H,15-16H2,1-2H3,(H,25,27).

What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 53280784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).