2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide

C24H20N4O3S — CID 23914651

IUPAC2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
SMILESCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C24H20N4O3S/c1-15(22(30)26-19-13-7-5-11-17(19)21(25)29)32-24-27-20-14-8-6-12-18(20)23(31)28(24)16-9-3-2-4-10-16/h2-15H,1H3,(H2,25,29)(H,26,30)
InChIKeyCRCAQFPWCHQYBX-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.60
Rot. Bonds6

About 2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide

2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide (PubChem CID 23914651) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
PubChem CID23914651
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
SMILESCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C24H20N4O3S/c1-15(22(30)26-19-13-7-5-11-17(19)21(25)29)32-24-27-20-14-8-6-12-18(20)23(31)28(24)16-9-3-2-4-10-16/h2-15H,1H3,(H2,25,29)(H,26,30)
InChIKeyCRCAQFPWCHQYBX-UHFFFAOYSA-N
XLogP3.60
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-naphthalen-1-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23970506
2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 23942562
N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23886561
N-(2,5-dimethylphenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23743285
N-(2,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 4282090
N-(5-chloro-2-methylphenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23743281
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16532216
(2S)-N-(2-acetylphenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 27947547
2-[4-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid
CID 21170654
N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 23879743
(2R)-N-(4-acetamidophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 41498459
N-(2,4-difluorophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 43014223

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide?
The IUPAC name of 2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide (CID 23914651) is 2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide.
What is the SMILES notation for 2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide?
The canonical SMILES for 2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide is CC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide?
The InChIKey is CRCAQFPWCHQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-15(22(30)26-19-13-7-5-11-17(19)21(25)29)32-24-27-20-14-8-6-12-18(20)23(31)28(24)16-9-3-2-4-10-16/h2-15H,1H3,(H2,25,29)(H,26,30).
What are the key properties of 2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide?
2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide has a molecular weight of 444.52 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide is sourced from PubChem (CID 23914651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).