2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide

C26H26N4O5S — CID 20865889

About 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide (PubChem CID 20865889) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide
• PubChem CID: 20865889
• Molecular Formula: C26H26N4O5S
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.16
• IUPAC Name: 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide
• SMILES: Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)NCCc3ccccc3)c3ccccc3)ccc2n(C)c1=O
• InChI: InChI=1S/C26H26N4O5S/c1-29-22-14-13-20(17-21(22)25(32)30(2)26(29)33)36(34,35)28-23(19-11-7-4-8-12-19)24(31)27-16-15-18-9-5-3-6-10-18/h3-14,17,23,28H,15-16H2,1-2H3,(H,27,31)
• InChIKey: XVNWLDAGNQZRTF-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 119.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide?

The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide (CID 20865889) is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide.

What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide?

The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide is Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)NCCc3ccccc3)c3ccccc3)ccc2n(C)c1=O.

What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide?

The InChIKey is XVNWLDAGNQZRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-29-22-14-13-20(17-21(22)25(32)30(2)26(29)33)36(34,35)28-23(19-11-7-4-8-12-19)24(31)27-16-15-18-9-5-3-6-10-18/h3-14,17,23,28H,15-16H2,1-2H3,(H,27,31).

What are the key properties of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide?

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide has a molecular weight of 506.58 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 20865889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).