N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide

C27H31N5O3S2 — CID 46369653

About N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide

N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (PubChem CID 46369653) has the molecular formula C27H31N5O3S2 and a molecular weight of 537.71 g/mol. Its IUPAC name is N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
• PubChem CID: 46369653
• Molecular Formula: C27H31N5O3S2
• Molecular Weight: 537.71 g/mol
• Exact Mass: 537.19
• IUPAC Name: N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
• SMILES: CCC(SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N12)C(=O)NC1CCCCC1
• InChI: InChI=1S/C27H31N5O3S2/c1-2-22(25(34)29-17-9-4-3-5-10-17)37-27-31-20-13-7-6-12-19(20)24-30-21(26(35)32(24)27)15-23(33)28-16-18-11-8-14-36-18/h6-8,11-14,17,21-22H,2-5,9-10,15-16H2,1H3,(H,28,33)(H,29,34)
• InChIKey: YGGCBYKPNCZJFP-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 103.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.71
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?

The IUPAC name of N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (CID 46369653) is N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.

What is the SMILES notation for N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?

The canonical SMILES for N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is CCC(SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N12)C(=O)NC1CCCCC1.

What is the InChIKey of N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?

The InChIKey is YGGCBYKPNCZJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3S2/c1-2-22(25(34)29-17-9-4-3-5-10-17)37-27-31-20-13-7-6-12-19(20)24-30-21(26(35)32(24)27)15-23(33)28-16-18-11-8-14-36-18/h6-8,11-14,17,21-22H,2-5,9-10,15-16H2,1H3,(H,28,33)(H,29,34).

What are the key properties of N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?

N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide has a molecular weight of 537.71 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[[3-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is sourced from PubChem (CID 46369653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).