2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide

C22H19N3OS — CID 78452622

IUPAC2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide
SMILESCc1nc(SC(C)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1
InChIInChI=1S/C22H19N3OS/c1-14(27-22-19-9-5-6-10-20(19)23-15(2)24-22)21(26)25-18-12-11-16-7-3-4-8-17(16)13-18/h3-14H,1-2H3,(H,25,26)
InChIKeyXMVBLIUHDFVZBM-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.21
Rot. Bonds4

About 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide

2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide (PubChem CID 78452622) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide
PubChem CID78452622
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide
SMILESCc1nc(SC(C)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1
InChIInChI=1S/C22H19N3OS/c1-14(27-22-19-9-5-6-10-20(19)23-15(2)24-22)21(26)25-18-12-11-16-7-3-4-8-17(16)13-18/h3-14H,1-2H3,(H,25,26)
InChIKeyXMVBLIUHDFVZBM-UHFFFAOYSA-N
XLogP5.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133858
N-naphthalen-2-yl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide
CID 18291106
(2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133868
N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452550
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
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide
CID 84601741
(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
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7283972

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide (CID 78452622) is 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide is Cc1nc(SC(C)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide?
The InChIKey is XMVBLIUHDFVZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-14(27-22-19-9-5-6-10-20(19)23-15(2)24-22)21(26)25-18-12-11-16-7-3-4-8-17(16)13-18/h3-14H,1-2H3,(H,25,26).
What are the key properties of 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide?
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide has a molecular weight of 373.48 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 78452622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).