(2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C24H24N4O5S — CID 51724229

About (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 51724229) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 51724229
• Molecular Formula: C24H24N4O5S
• Molecular Weight: 480.55 g/mol
• Exact Mass: 480.15
• IUPAC Name: (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2C[C@H](C(N)=O)Oc3ccccc32)c1
• InChI: InChI=1S/C24H24N4O5S/c1-27(18-9-3-2-4-10-18)34(31,32)19-11-7-8-17(14-19)26-23(29)16-28-15-22(24(25)30)33-21-13-6-5-12-20(21)28/h2-14,22H,15-16H2,1H3,(H2,25,30)(H,26,29)/t22-/m1/s1
• InChIKey: LKSKYTUFNWPKJA-JOCHJYFZSA-N
• XLogP: 2.20
• TPSA: 122.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 51724229) is (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2C[C@H](C(N)=O)Oc3ccccc32)c1.

What is the InChIKey of (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is LKSKYTUFNWPKJA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-27(18-9-3-2-4-10-18)34(31,32)19-11-7-8-17(14-19)26-23(29)16-28-15-22(24(25)30)33-21-13-6-5-12-20(21)28/h2-14,22H,15-16H2,1H3,(H2,25,30)(H,26,29)/t22-/m1/s1.

What are the key properties of (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

(2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 51724229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).