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

C16H12ClN3OS — CID 2362180

IUPACN-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3OS/c17-11-5-7-12(8-6-11)20-15(21)9-22-16-13-3-1-2-4-14(13)18-10-19-16/h1-8,10H,9H2,(H,20,21)
InChIKeyIWGKVBFKYHLIRF-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.01
Rot. Bonds4

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

N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2362180) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2362180
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC NameN-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3OS/c17-11-5-7-12(8-6-11)20-15(21)9-22-16-13-3-1-2-4-14(13)18-10-19-16/h1-8,10H,9H2,(H,20,21)
InChIKeyIWGKVBFKYHLIRF-UHFFFAOYSA-N
XLogP4.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976
N-[4-(cyanomethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 8939437
N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 3518128
N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362322
N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2652585
N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412906
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 44597359
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323347
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 4187636
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2632326

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide (CID 2362180) is N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccccc12)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is IWGKVBFKYHLIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-11-5-7-12(8-6-11)20-15(21)9-22-16-13-3-1-2-4-14(13)18-10-19-16/h1-8,10H,9H2,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 329.81 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2362180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).