2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide

C21H17N3OS — CID 7145516

IUPAC2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1nc(SCC(=O)Nc2cccc3ccccc23)c2ccccc2n1
InChIInChI=1S/C21H17N3OS/c1-14-22-19-11-5-4-10-17(19)21(23-14)26-13-20(25)24-18-12-6-8-15-7-2-3-9-16(15)18/h2-12H,13H2,1H3,(H,24,25)
InChIKeyGOLSVSJSOOEDTH-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.82
Rot. Bonds4

About 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide

2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 7145516) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID7145516
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1nc(SCC(=O)Nc2cccc3ccccc23)c2ccccc2n1
InChIInChI=1S/C21H17N3OS/c1-14-22-19-11-5-4-10-17(19)21(23-14)26-13-20(25)24-18-12-6-8-15-7-2-3-9-16(15)18/h2-12H,13H2,1H3,(H,24,25)
InChIKeyGOLSVSJSOOEDTH-UHFFFAOYSA-N
XLogP4.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145487
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145540
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7210077
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7144886
N-(2,3-dimethylphenyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166991
N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133920
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide (CID 7145516) is 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide is Cc1nc(SCC(=O)Nc2cccc3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is GOLSVSJSOOEDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-14-22-19-11-5-4-10-17(19)21(23-14)26-13-20(25)24-18-12-6-8-15-7-2-3-9-16(15)18/h2-12H,13H2,1H3,(H,24,25).
What are the key properties of 2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 359.45 g/mol, XLogP of 4.82, 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-1-ylacetamide is sourced from PubChem (CID 7145516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).