3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide

C26H24N4O2S2 — CID 3441668

IUPAC3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(CSC2=Nc3ccccc3C3=NC(CCC(=O)NCc4cccs4)C(=O)N23)cc1
InChIInChI=1S/C26H24N4O2S2/c1-17-8-10-18(11-9-17)16-34-26-29-21-7-3-2-6-20(21)24-28-22(25(32)30(24)26)12-13-23(31)27-15-19-5-4-14-33-19/h2-11,14,22H,12-13,15-16H2,1H3,(H,27,31)
InChIKeyPDFJYVTUBMFUGX-UHFFFAOYSA-N
MW488.64 g/mol
LogP5.05
Rot. Bonds7

About 3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide

3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 3441668) has the molecular formula C26H24N4O2S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID3441668
Molecular FormulaC26H24N4O2S2
Molecular Weight488.64 g/mol
Exact Mass488.13
IUPAC Name3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(CSC2=Nc3ccccc3C3=NC(CCC(=O)NCc4cccs4)C(=O)N23)cc1
InChIInChI=1S/C26H24N4O2S2/c1-17-8-10-18(11-9-17)16-34-26-29-21-7-3-2-6-20(21)24-28-22(25(32)30(24)26)12-13-23(31)27-15-19-5-4-14-33-19/h2-11,14,22H,12-13,15-16H2,1H3,(H,27,31)
InChIKeyPDFJYVTUBMFUGX-UHFFFAOYSA-N
XLogP5.05
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 3441668) is 3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide is Cc1ccc(CSC2=Nc3ccccc3C3=NC(CCC(=O)NCc4cccs4)C(=O)N23)cc1.
What is the InChIKey of 3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is PDFJYVTUBMFUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S2/c1-17-8-10-18(11-9-17)16-34-26-29-21-7-3-2-6-20(21)24-28-22(25(32)30(24)26)12-13-23(31)27-15-19-5-4-14-33-19/h2-11,14,22H,12-13,15-16H2,1H3,(H,27,31).
What are the key properties of 3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 488.64 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-methylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 3441668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).