2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide

C22H17N3O2S — CID 135402519

IUPAC2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2c(=O)[nH]1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20-16-10-4-6-12-18(16)23-22(24-20)25-21(27)17-11-5-7-13-19(17)28-14-15-8-2-1-3-9-15/h1-13H,14H2,(H2,23,24,25,26,27)
InChIKeyZQZOGDPREZOMFM-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.47
Rot. Bonds5

About 2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide

2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide (PubChem CID 135402519) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide
PubChem CID135402519
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2c(=O)[nH]1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20-16-10-4-6-12-18(16)23-22(24-20)25-21(27)17-11-5-7-13-19(17)28-14-15-8-2-1-3-9-15/h1-13H,14H2,(H2,23,24,25,26,27)
InChIKeyZQZOGDPREZOMFM-UHFFFAOYSA-N
XLogP4.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-Aminomethyl-8-Phenylsulfanylmethyl-3h-Quinazolin-4-One
CID 135509113
N-(4-hydroxyquinazolin-2-yl)-2-(methylsulfanyl)benzamide
CID 135433187
Stk723913
CID 135408573
3-[3-(phenylsulfanyl)propyl]-4(3H)-quinazolinone
CID 7285520
2-(ethylthio)-N-(4-oxo-1,4-dihydro-2-quinazolinyl)benzamide
CID 135460578
2,6-Diamino-8-phenylsulfanylmethyl-3H-quinazolin-4-one
CID 135499790
2-(4-oxo-4-phenylbutyl)sulfanyl-3H-quinazolin-4-one
CID 135517744
2-phenacylsulfanyl-1H-quinazolin-4-one
CID 135438796
2-[(Phenylsulfonyl)methyl]-4-quinazolinol
CID 135471904
2-[(4-methylbenzyl)thio]-4(3H)-quinazolinone
CID 135505888
2-(3-phenylpropylsulfanyl)-3H-quinazolin-4-one
CID 136686111
N-(4-oxo-4H-3,1-benzothiazin-2-yl)benzamide
CID 719363

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
The IUPAC name of 2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide (CID 135402519) is 2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
The canonical SMILES for 2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide is O=C(Nc1nc2ccccc2c(=O)[nH]1)c1ccccc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
The InChIKey is ZQZOGDPREZOMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-20-16-10-4-6-12-18(16)23-22(24-20)25-21(27)17-11-5-7-13-19(17)28-14-15-8-2-1-3-9-15/h1-13H,14H2,(H2,23,24,25,26,27).
What are the key properties of 2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide has a molecular weight of 387.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide is sourced from PubChem (CID 135402519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).