2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide

C21H22N2O2S — CID 46355483

IUPAC2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1
InChIInChI=1S/C21H22N2O2S/c1-13-4-8-16(9-5-13)22-19(25)12-26-11-17-10-18(24)20-14(2)6-7-15(3)21(20)23-17/h4-10H,11-12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyWMJIPKWAIAUURE-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.33
Rot. Bonds5

About 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide

2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 46355483) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID46355483
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1
InChIInChI=1S/C21H22N2O2S/c1-13-4-8-16(9-5-13)22-19(25)12-26-11-17-10-18(24)20-14(2)6-7-15(3)21(20)23-17/h4-10H,11-12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyWMJIPKWAIAUURE-UHFFFAOYSA-N
XLogP4.33
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 46355668
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355439
2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46355611
N-(4-methoxyphenyl)-2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355420
N-(4-ethoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355604
2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355414
N-(3-chlorophenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355603
N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355722
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 22580167
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 46355444
N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 2118628
N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
CID 9141188

Frequently Asked Questions

What is the IUPAC name of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide (CID 46355483) is 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1.
What is the InChIKey of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is WMJIPKWAIAUURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-13-4-8-16(9-5-13)22-19(25)12-26-11-17-10-18(24)20-14(2)6-7-15(3)21(20)23-17/h4-10H,11-12H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 46355483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).