2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide

C22H18ClN3O2S — CID 1491873

About 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide (PubChem CID 1491873) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide
• PubChem CID: 1491873
• Molecular Formula: C22H18ClN3O2S
• Molecular Weight: 423.93 g/mol
• Exact Mass: 423.08
• IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide
• SMILES: O=C(CSc1ccc(Cl)cc1)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O
• InChI: InChI=1S/C22H18ClN3O2S/c23-16-6-8-17(9-7-16)29-13-21(28)26-22-24-12-18-19(25-22)10-15(11-20(18)27)14-4-2-1-3-5-14/h1-9,12,15H,10-11,13H2,(H,24,25,26,28)/t15-/m0/s1
• InChIKey: BYJCWXRNZGHFIY-HNNXBMFYSA-N
• XLogP: 4.77
• TPSA: 71.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.93
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide (CID 1491873) is 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide is O=C(CSc1ccc(Cl)cc1)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O.

What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

The InChIKey is BYJCWXRNZGHFIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c23-16-6-8-17(9-7-16)29-13-21(28)26-22-24-12-18-19(25-22)10-15(11-20(18)27)14-4-2-1-3-5-14/h1-9,12,15H,10-11,13H2,(H,24,25,26,28)/t15-/m0/s1.

What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide?

2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide has a molecular weight of 423.93 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide is sourced from PubChem (CID 1491873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).