2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide

C21H23N3OS — CID 1442488

IUPAC2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C21H23N3OS/c1-21(2,3)24-19(25)14-26-20-16-11-7-8-12-17(16)22-18(23-20)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,24,25)
InChIKeyVSTYRJRZSYSMMD-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.23
Rot. Bonds5

About 2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide

2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide (PubChem CID 1442488) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide
PubChem CID1442488
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C21H23N3OS/c1-21(2,3)24-19(25)14-26-20-16-11-7-8-12-17(16)22-18(23-20)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,24,25)
InChIKeyVSTYRJRZSYSMMD-UHFFFAOYSA-N
XLogP4.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-tert-butylacetamide?
The IUPAC name of 2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide (CID 1442488) is 2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide?
The canonical SMILES for 2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide is CC(C)(C)NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide?
The InChIKey is VSTYRJRZSYSMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-21(2,3)24-19(25)14-26-20-16-11-7-8-12-17(16)22-18(23-20)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,24,25).
What are the key properties of 2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide?
2-(2-benzylquinazolin-4-yl)sulfanyl-N-tert-butylacetamide has a molecular weight of 365.50 g/mol, XLogP of 4.23, 5 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-tert-butylacetamide is sourced from PubChem (CID 1442488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).