2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide

C22H25N3OS — CID 1442570

IUPAC2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C22H25N3OS/c1-4-22(2,3)25-20(26)15-27-21-17-12-8-9-13-18(17)23-19(24-21)14-16-10-6-5-7-11-16/h5-13H,4,14-15H2,1-3H3,(H,25,26)
InChIKeyKKJRAZFKWSGUMI-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.62
Rot. Bonds7

About 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide

2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide (PubChem CID 1442570) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
PubChem CID1442570
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C22H25N3OS/c1-4-22(2,3)25-20(26)15-27-21-17-12-8-9-13-18(17)23-19(24-21)14-16-10-6-5-7-11-16/h5-13H,4,14-15H2,1-3H3,(H,25,26)
InChIKeyKKJRAZFKWSGUMI-UHFFFAOYSA-N
XLogP4.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
CID 135449834
2-(6-Fluoro-2-phenylquinazolin-4-yl)sulfanylethanol
CID 3167738
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 856987
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-4-quinolinylacetamide
CID 934786
2-(2-Cyclopropylquinazolin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1435085
Propan-2-yl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
CID 1442567
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
1-(4-Fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
CID 1442866
N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
CID 2379159
(2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile
CID 3141919
CID 3221482
CID 3221482

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide (CID 1442570) is 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is KKJRAZFKWSGUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-4-22(2,3)25-20(26)15-27-21-17-12-8-9-13-18(17)23-19(24-21)14-16-10-6-5-7-11-16/h5-13H,4,14-15H2,1-3H3,(H,25,26).
What are the key properties of 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 379.53 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylquinazolin-4-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 1442570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).