N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C17H15N3O2S — CID 4808995

IUPACN-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCSc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C17H15N3O2S/c1-23-15-9-5-4-8-14(15)19-16(21)10-20-11-18-13-7-3-2-6-12(13)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyRKFOYDAQZBIAJY-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.76
Rot. Bonds4

About N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 4808995) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID4808995
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCSc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C17H15N3O2S/c1-23-15-9-5-4-8-14(15)19-16(21)10-20-11-18-13-7-3-2-6-12(13)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyRKFOYDAQZBIAJY-UHFFFAOYSA-N
XLogP2.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 21231739
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 15994100
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 52546822
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 4808995) is N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is CSc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is RKFOYDAQZBIAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-23-15-9-5-4-8-14(15)19-16(21)10-20-11-18-13-7-3-2-6-12(13)17(20)22/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 325.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 4808995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).