N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide

C19H17N3O3S — CID 136686121

IUPACN-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Sc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H17N3O3S/c1-11(23)13-6-5-7-14(10-13)20-17(24)12(2)26-19-21-16-9-4-3-8-15(16)18(25)22-19/h3-10,12H,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyGRDGSCKDFYXCST-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.24
Rot. Bonds5

About N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide

N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide (PubChem CID 136686121) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
PubChem CID136686121
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Sc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H17N3O3S/c1-11(23)13-6-5-7-14(10-13)20-17(24)12(2)26-19-21-16-9-4-3-8-15(16)18(25)22-19/h3-10,12H,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyGRDGSCKDFYXCST-UHFFFAOYSA-N
XLogP3.24
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135745681
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136686122
N-(3,5-dichlorophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686094
N-(3-chloro-4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686097
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135538320
(2S)-N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2617970
ethyl 4-[2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanoylamino]benzoate
CID 136686179
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135677011
(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2362911
(2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide
CID 25381515
methyl 2-[2-[1-(3-acetylanilino)-1-oxopropan-2-yl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135813383
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide
CID 7756114

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide (CID 136686121) is N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide is CC(=O)c1cccc(NC(=O)C(C)Sc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The InChIKey is GRDGSCKDFYXCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11(23)13-6-5-7-14(10-13)20-17(24)12(2)26-19-21-16-9-4-3-8-15(16)18(25)22-19/h3-10,12H,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide has a molecular weight of 367.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 136686121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).