N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide

C24H21Cl3N4O5S — CID 123638259

About N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide

N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide (PubChem CID 123638259) has the molecular formula C24H21Cl3N4O5S and a molecular weight of 583.88 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide.

Molecular Properties

• Compound Name: N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide
• PubChem CID: 123638259
• Molecular Formula: C24H21Cl3N4O5S
• Molecular Weight: 583.88 g/mol
• Exact Mass: 582.03
• IUPAC Name: N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide
• SMILES: CC(=O)N(C)CC1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc(NC(=O)c3c(Cl)cccc3Cl)ccc2O1
• InChI: InChI=1S/C24H21Cl3N4O5S/c1-14(32)30(2)12-16-13-31(37(34,35)17-6-3-5-15(25)11-17)23-20(36-16)9-10-21(28-23)29-24(33)22-18(26)7-4-8-19(22)27/h3-11,16H,12-13H2,1-2H3,(H,28,29,33)
• InChIKey: JBQHRKVFKOMNBB-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 108.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.88
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide?

The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide (CID 123638259) is N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide.

What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide?

The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide is CC(=O)N(C)CC1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc(NC(=O)c3c(Cl)cccc3Cl)ccc2O1.

What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide?

The InChIKey is JBQHRKVFKOMNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl3N4O5S/c1-14(32)30(2)12-16-13-31(37(34,35)17-6-3-5-15(25)11-17)23-20(36-16)9-10-21(28-23)29-24(33)22-18(26)7-4-8-19(22)27/h3-11,16H,12-13H2,1-2H3,(H,28,29,33).

What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide?

N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide has a molecular weight of 583.88 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 123638259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).