N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide

C21H19N3O2S — CID 1435055

IUPACN-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C21H19N3O2S/c1-13(25)14-8-10-16(11-9-14)22-19(26)12-27-21-17-4-2-3-5-18(17)23-20(24-21)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H,22,26)
InChIKeyCMWLXFPVIKKFJB-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.44
Rot. Bonds6

About N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide

N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1435055) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
PubChem CID1435055
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C21H19N3O2S/c1-13(25)14-8-10-16(11-9-14)22-19(26)12-27-21-17-4-2-3-5-18(17)23-20(24-21)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H,22,26)
InChIKeyCMWLXFPVIKKFJB-UHFFFAOYSA-N
XLogP4.44
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
1-(4-Fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
CID 1442866
4-(4-cyclopropylquinazolin-2-ylamino)-N-(2,6-dimethylphenyl)benzamide
CID 44565643
N-(2-oxo-2-phenylethyl)-2-(quinazolin-4-ylsulfanyl)acetamide
CID 1503574
1-{4-[(2-Phenyl-4-quinazolinyl)amino]phenyl}ethanone
CID 725405
Cyclohexanecarboxylic acid N'-[2-(2-ethyl-quinazolin-4-ylsulfanyl)-acetyl]-hydrazide
CID 1435013
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide
CID 1435145
N-(3-Acetylamino-phenyl)-2-(2-cyclopropyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1435153
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-tert-butyl-acetamide
CID 1442488
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-(1,1-dimethyl-propyl)-acetamide
CID 1442570
Cyclohexanecarboxylic acid N'-[2-(2-propyl-quinazolin-4-ylsulfanyl)-acetyl]-hydrazide
CID 1442626
N-[4-(dimethylamino)phenyl]-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
CID 1442821

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide (CID 1435055) is N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide is CC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is CMWLXFPVIKKFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13(25)14-8-10-16(11-9-14)22-19(26)12-27-21-17-4-2-3-5-18(17)23-20(24-21)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 377.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1435055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).