2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C22H24N2OS — CID 7363859

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CSc1cc(C)c2cccc(C)c2n1
InChIInChI=1S/C22H24N2OS/c1-15-8-5-6-10-18(15)13-24(4)21(25)14-26-20-12-17(3)19-11-7-9-16(2)22(19)23-20/h5-12H,13-14H2,1-4H3
InChIKeyVFGZAUJXANTLIR-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.91
Rot. Bonds5

About 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 7363859) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID7363859
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CSc1cc(C)c2cccc(C)c2n1
InChIInChI=1S/C22H24N2OS/c1-15-8-5-6-10-18(15)13-24(4)21(25)14-26-20-12-17(3)19-11-7-9-16(2)22(19)23-20/h5-12H,13-14H2,1-4H3
InChIKeyVFGZAUJXANTLIR-UHFFFAOYSA-N
XLogP4.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 7363859) is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)CSc1cc(C)c2cccc(C)c2n1.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is VFGZAUJXANTLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-15-8-5-6-10-18(15)13-24(4)21(25)14-26-20-12-17(3)19-11-7-9-16(2)22(19)23-20/h5-12H,13-14H2,1-4H3.
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 364.51 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 7363859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).