N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide

C25H25N3OS — CID 143000956

About N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide

N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide (PubChem CID 143000956) has the molecular formula C25H25N3OS and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
• PubChem CID: 143000956
• Molecular Formula: C25H25N3OS
• Molecular Weight: 415.56 g/mol
• Exact Mass: 415.17
• IUPAC Name: N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
• SMILES: C/C=C(\SC)c1nc2c(nc1NC(=O)CCc1ccccc1)CCc1ccccc1-2
• InChI: InChI=1S/C25H25N3OS/c1-3-21(30-2)24-25(27-22(29)16-13-17-9-5-4-6-10-17)26-20-15-14-18-11-7-8-12-19(18)23(20)28-24/h3-12H,13-16H2,1-2H3,(H,26,27,29)/b21-3-
• InChIKey: NPPLZVHXRPEYIY-OSSHXBFKSA-N
• XLogP: 5.54
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.56
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?

The IUPAC name of N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide (CID 143000956) is N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide.

What is the SMILES notation for N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?

The canonical SMILES for N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide is C/C=C(\SC)c1nc2c(nc1NC(=O)CCc1ccccc1)CCc1ccccc1-2.

What is the InChIKey of N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?

The InChIKey is NPPLZVHXRPEYIY-OSSHXBFKSA-N. The full InChI is InChI=1S/C25H25N3OS/c1-3-21(30-2)24-25(27-22(29)16-13-17-9-5-4-6-10-17)26-20-15-14-18-11-7-8-12-19(18)23(20)28-24/h3-12H,13-16H2,1-2H3,(H,26,27,29)/b21-3-.

What are the key properties of N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?

N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide has a molecular weight of 415.56 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(Z)-1-methylsulfanylprop-1-enyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 143000956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).