(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide

C19H17N3O2S — CID 2362911

IUPAC(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ncnc3ccccc23)c1
InChIInChI=1S/C19H17N3O2S/c1-12(23)14-6-5-7-15(10-14)22-18(24)13(2)25-19-16-8-3-4-9-17(16)20-11-21-19/h3-11,13H,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyIXFMQDPWRQQYPL-CYBMUJFWSA-N
MW351.43 g/mol
LogP3.95
Rot. Bonds5

About (2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide

(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide (PubChem CID 2362911) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
PubChem CID2362911
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ncnc3ccccc23)c1
InChIInChI=1S/C19H17N3O2S/c1-12(23)14-6-5-7-15(10-14)22-18(24)13(2)25-19-16-8-3-4-9-17(16)20-11-21-19/h3-11,13H,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyIXFMQDPWRQQYPL-CYBMUJFWSA-N
XLogP3.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-acetylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7300369
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide
CID 40789859
(2R)-N-[4-(dimethylamino)phenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 2607982
(2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide
CID 25381515
N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 78761224
(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2429534
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686121
N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide
CID 51319428
N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 42968881
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 42968880
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761229
N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 51280107

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide (CID 2362911) is (2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ncnc3ccccc23)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The InChIKey is IXFMQDPWRQQYPL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12(23)14-6-5-7-15(10-14)22-18(24)13(2)25-19-16-8-3-4-9-17(16)20-11-21-19/h3-11,13H,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide?
(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide has a molecular weight of 351.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide is sourced from PubChem (CID 2362911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).