N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide

C23H19N3OS — CID 9323347

IUPACN-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H19N3OS/c27-22(15-28-23-19-11-5-7-13-21(19)24-16-25-23)26-20-12-6-4-10-18(20)14-17-8-2-1-3-9-17/h1-13,16H,14-15H2,(H,26,27)
InChIKeyCDPNKVFLKRAOOR-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.95
Rot. Bonds6

About N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide

N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 9323347) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID9323347
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC NameN-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H19N3OS/c27-22(15-28-23-19-11-5-7-13-21(19)24-16-25-23)26-20-12-6-4-10-18(20)14-17-8-2-1-3-9-17/h1-13,16H,14-15H2,(H,26,27)
InChIKeyCDPNKVFLKRAOOR-UHFFFAOYSA-N
XLogP4.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 46357656
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide
CID 9325470
N-[4-(cyanomethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 8939437
N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362322
N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 36528919
N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
CID 9325504
N-(2-methyl-6-propan-2-ylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412358
N-(2-bromo-4-nitrophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 3439349
N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7474594

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide (CID 9323347) is N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccccc12)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is CDPNKVFLKRAOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c27-22(15-28-23-19-11-5-7-13-21(19)24-16-25-23)26-20-12-6-4-10-18(20)14-17-8-2-1-3-9-17/h1-13,16H,14-15H2,(H,26,27).
What are the key properties of N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 385.49 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 9323347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).