N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

C18H17N3O2S — CID 135399263

IUPACN-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H17N3O2S/c1-11-6-5-7-12(2)16(11)20-15(22)10-24-18-19-14-9-4-3-8-13(14)17(23)21-18/h3-9H,10H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyFFNHWGIAKPSZGE-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.27
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 135399263) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID135399263
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H17N3O2S/c1-11-6-5-7-12(2)16(11)20-15(22)10-24-18-19-14-9-4-3-8-13(14)17(23)21-18/h3-9H,10H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyFFNHWGIAKPSZGE-UHFFFAOYSA-N
XLogP3.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
CID 25229546
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
(4-Hydroxy-quinazolin-2-ylsulfanyl)-acetic acid
CID 135409719
Bis-quinazolinone 5
CID 145996538
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-Methyl-N-[4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)phenyl)butanamide
CID 135401345
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2557019
2-[(E)-2-(3-methylphenyl)ethenyl]-1H-quinazolin-4-one
CID 135455083
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009
2-(3,5-dimethylanilino)-4(3H)-quinazolinone
CID 135439663

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 135399263) is N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is FFNHWGIAKPSZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-6-5-7-12(2)16(11)20-15(22)10-24-18-19-14-9-4-3-8-13(14)17(23)21-18/h3-9H,10H2,1-2H3,(H,20,22)(H,19,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135399263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).