3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane

C24H28N4O4S2 — CID 142432961

About 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane

3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane (PubChem CID 142432961) has the molecular formula C24H28N4O4S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane.

Molecular Properties

• Compound Name: 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane
• PubChem CID: 142432961
• Molecular Formula: C24H28N4O4S2
• Molecular Weight: 500.65 g/mol
• Exact Mass: 500.16
• IUPAC Name: 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane
• SMILES: C.CCOc1cc2nc(C)nc(NCc3ccc(-c4cccc(S(N)(=O)=O)c4)s3)c2cc1OC
• InChI: InChI=1S/C23H24N4O4S2.CH4/c1-4-31-21-12-19-18(11-20(21)30-3)23(27-14(2)26-19)25-13-16-8-9-22(32-16)15-6-5-7-17(10-15)33(24,28)29;/h5-12H,4,13H2,1-3H3,(H2,24,28,29)(H,25,26,27);1H4
• InChIKey: XGXAYUDDRJWVBI-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 116.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.65
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane?

The IUPAC name of 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane (CID 142432961) is 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane.

What is the SMILES notation for 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane?

The canonical SMILES for 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane is C.CCOc1cc2nc(C)nc(NCc3ccc(-c4cccc(S(N)(=O)=O)c4)s3)c2cc1OC.

What is the InChIKey of 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane?

The InChIKey is XGXAYUDDRJWVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2.CH4/c1-4-31-21-12-19-18(11-20(21)30-3)23(27-14(2)26-19)25-13-16-8-9-22(32-16)15-6-5-7-17(10-15)33(24,28)29;/h5-12H,4,13H2,1-3H3,(H2,24,28,29)(H,25,26,27);1H4.

What are the key properties of 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane?

3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane has a molecular weight of 500.65 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane is sourced from PubChem (CID 142432961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).