2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide

C20H20N2O2S — CID 46355414

IUPAC2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCc2cc(=O)c3ccc(C)cc3[nH]2)c1
InChIInChI=1S/C20H20N2O2S/c1-13-4-3-5-15(8-13)22-20(24)12-25-11-16-10-19(23)17-7-6-14(2)9-18(17)21-16/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySLMZKQHSJXWJLM-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.02
Rot. Bonds5

About 2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide

2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide (PubChem CID 46355414) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
PubChem CID46355414
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCc2cc(=O)c3ccc(C)cc3[nH]2)c1
InChIInChI=1S/C20H20N2O2S/c1-13-4-3-5-15(8-13)22-20(24)12-25-11-16-10-19(23)17-7-6-14(2)9-18(17)21-16/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySLMZKQHSJXWJLM-UHFFFAOYSA-N
XLogP4.02
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355439
N-(4-methoxyphenyl)-2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355420
N-(3-chlorophenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355603
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 22580167
2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46355611
N-(4-ethoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355604
ethyl 2-[[2-(3-chloroanilino)-2-oxoethyl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate
CID 46355673
2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 46355519
2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 46355483
2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 22580168
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide (CID 46355414) is 2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSCc2cc(=O)c3ccc(C)cc3[nH]2)c1.
What is the InChIKey of 2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide?
The InChIKey is SLMZKQHSJXWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13-4-3-5-15(8-13)22-20(24)12-25-11-16-10-19(23)17-7-6-14(2)9-18(17)21-16/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide?
2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 46355414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).