2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide

C23H26N4O4S — CID 135616579

About 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide

2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 135616579) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
• PubChem CID: 135616579
• Molecular Formula: C23H26N4O4S
• Molecular Weight: 454.55 g/mol
• Exact Mass: 454.17
• IUPAC Name: 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
• SMILES: CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1
• InChI: InChI=1S/C23H26N4O4S/c1-17(2)27(15-21-24-20-12-8-7-11-19(20)23(29)25-21)22(28)16-26(3)32(30,31)14-13-18-9-5-4-6-10-18/h4-14,17H,15-16H2,1-3H3,(H,24,25,29)/b14-13+
• InChIKey: WEKFQPLIXNYYMF-BUHFOSPRSA-N
• XLogP: 2.59
• TPSA: 103.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.55
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide (CID 135616579) is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1.

What is the InChIKey of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide?

The InChIKey is WEKFQPLIXNYYMF-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-17(2)27(15-21-24-20-12-8-7-11-19(20)23(29)25-21)22(28)16-26(3)32(30,31)14-13-18-9-5-4-6-10-18/h4-14,17H,15-16H2,1-3H3,(H,24,25,29)/b14-13+.

What are the key properties of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide?

2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 454.55 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 135616579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).