N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

C19H19N3OS — CID 78452543

IUPACN-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H19N3OS/c1-13(18(23)20-12-15-8-4-3-5-9-15)24-19-16-10-6-7-11-17(16)21-14(2)22-19/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyMHAKXQTVKGWYRV-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.74
Rot. Bonds5

About N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (PubChem CID 78452543) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
PubChem CID78452543
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H19N3OS/c1-13(18(23)20-12-15-8-4-3-5-9-15)24-19-16-10-6-7-11-17(16)21-14(2)22-19/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyMHAKXQTVKGWYRV-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667491
N-[(2-methoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667490
(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7283972
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145085
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7144873
(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133858
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 78452622
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145064
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145059
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667507
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145349
(2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133868

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The IUPAC name of N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (CID 78452543) is N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is Cc1nc(SC(C)C(=O)NCc2ccccc2)c2ccccc2n1.
What is the InChIKey of N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The InChIKey is MHAKXQTVKGWYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13(18(23)20-12-15-8-4-3-5-9-15)24-19-16-10-6-7-11-17(16)21-14(2)22-19/h3-11,13H,12H2,1-2H3,(H,20,23).
What are the key properties of N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide has a molecular weight of 337.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 78452543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).