2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide

C24H21N5O4S2 — CID 5074545

About 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5074545) has the molecular formula C24H21N5O4S2 and a molecular weight of 507.60 g/mol. Its IUPAC name is 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 5074545
• Molecular Formula: C24H21N5O4S2
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.10
• IUPAC Name: 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N12)NCc1ccco1
• InChI: InChI=1S/C24H21N5O4S2/c30-20(26-13-16-6-4-10-34-16)11-19-23(32)29-22(27-19)17-7-1-2-8-18(17)28-24(29)35-14-21(31)25-12-15-5-3-9-33-15/h1-10,19H,11-14H2,(H,25,31)(H,26,30)
• InChIKey: HGMFZFQUCFWDTF-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 116.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 5074545) is 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N12)NCc1ccco1.

What is the InChIKey of 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is HGMFZFQUCFWDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S2/c30-20(26-13-16-6-4-10-34-16)11-19-23(32)29-22(27-19)17-7-1-2-8-18(17)28-24(29)35-14-21(31)25-12-15-5-3-9-33-15/h1-10,19H,11-14H2,(H,25,31)(H,26,30).

What are the key properties of 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?

2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 507.60 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5074545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).