N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide

C17H19N3O2S — CID 73341020

IUPACN-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide
SMILESCc1ccccc1NC(=O)CSC1=NC(=O)C2CCCCC2=N1
InChIInChI=1S/C17H19N3O2S/c1-11-6-2-4-8-13(11)18-15(21)10-23-17-19-14-9-5-3-7-12(14)16(22)20-17/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,18,21)
InChIKeyJLQGGAQVXQXIDC-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.19
Rot. Bonds3

About N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide

N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 73341020) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID73341020
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC NameN-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide
SMILESCc1ccccc1NC(=O)CSC1=NC(=O)C2CCCCC2=N1
InChIInChI=1S/C17H19N3O2S/c1-11-6-2-4-8-13(11)18-15(21)10-23-17-19-14-9-5-3-7-12(14)16(22)20-17/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,18,21)
InChIKeyJLQGGAQVXQXIDC-UHFFFAOYSA-N
XLogP3.19
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide
CID 73341005
N-(2-fluorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-4-yl)sulfanyl]acetamide
CID 78457876
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 36540804
2-[[1-(2-methoxyphenyl)-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 74534824
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
2-(cyclopentyloxyamino)-N-(2-methylphenyl)acetamide
CID 83228788
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
CID 861411
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 98265921
2-[(3aR)-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl]-N-(2,4-dimethylphenyl)acetamide
CID 98265924
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide (CID 73341020) is N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide is Cc1ccccc1NC(=O)CSC1=NC(=O)C2CCCCC2=N1.
What is the InChIKey of N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is JLQGGAQVXQXIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-6-2-4-8-13(11)18-15(21)10-23-17-19-14-9-5-3-7-12(14)16(22)20-17/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,18,21).
What are the key properties of N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide?
N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 329.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 73341020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).