N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

C19H16N4OS — CID 78452550

IUPACN-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)Nc2cccc(C#N)c2)c2ccccc2n1
InChIInChI=1S/C19H16N4OS/c1-12(18(24)23-15-7-5-6-14(10-15)11-20)25-19-16-8-3-4-9-17(16)21-13(2)22-19/h3-10,12H,1-2H3,(H,23,24)
InChIKeyHASRGEWCHGKQTP-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.93
Rot. Bonds4

About N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (PubChem CID 78452550) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
PubChem CID78452550
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)Nc2cccc(C#N)c2)c2ccccc2n1
InChIInChI=1S/C19H16N4OS/c1-12(18(24)23-15-7-5-6-14(10-15)11-20)25-19-16-8-3-4-9-17(16)21-13(2)22-19/h3-10,12H,1-2H3,(H,23,24)
InChIKeyHASRGEWCHGKQTP-UHFFFAOYSA-N
XLogP3.93
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133868
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 78452622
(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133858
(2S)-N-(3-cyanophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7224544
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 84601709
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667507
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 51319472
N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268560
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide
CID 84601741
(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7250857
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145064

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (CID 78452550) is N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is Cc1nc(SC(C)C(=O)Nc2cccc(C#N)c2)c2ccccc2n1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The InChIKey is HASRGEWCHGKQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12(18(24)23-15-7-5-6-14(10-15)11-20)25-19-16-8-3-4-9-17(16)21-13(2)22-19/h3-10,12H,1-2H3,(H,23,24).
What are the key properties of N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide has a molecular weight of 348.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 78452550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).