N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C18H14N4OS — CID 7145487

IUPACN-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2C#N)c2ccccc2n1
InChIInChI=1S/C18H14N4OS/c1-12-20-16-9-5-3-7-14(16)18(21-12)24-11-17(23)22-15-8-4-2-6-13(15)10-19/h2-9H,11H2,1H3,(H,22,23)
InChIKeyXMVZBJXLWGKSIE-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.54
Rot. Bonds4

About N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7145487) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID7145487
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2C#N)c2ccccc2n1
InChIInChI=1S/C18H14N4OS/c1-12-20-16-9-5-3-7-14(16)18(21-12)24-11-17(23)22-15-8-4-2-6-13(15)10-19/h2-9H,11H2,1H3,(H,22,23)
InChIKeyXMVZBJXLWGKSIE-UHFFFAOYSA-N
XLogP3.54
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542
N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145540
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7210077
N-(2-cyanophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetamide
CID 7524703
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 24630972
N-(2-cyanophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4139269
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1151269
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 7145487) is N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2ccccc2C#N)c2ccccc2n1.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is XMVZBJXLWGKSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12-20-16-9-5-3-7-14(16)18(21-12)24-11-17(23)22-15-8-4-2-6-13(15)10-19/h2-9H,11H2,1H3,(H,22,23).
What are the key properties of N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 334.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7145487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).