2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide

C22H24N2O2S — CID 46355611

IUPAC2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc2[nH]c(CSCC(=O)Nc3ccc(C(C)C)cc3)cc(=O)c2c1
InChIInChI=1S/C22H24N2O2S/c1-14(2)16-5-7-17(8-6-16)24-22(26)13-27-12-18-11-21(25)19-10-15(3)4-9-20(19)23-18/h4-11,14H,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyMACIZHRWTJNZBK-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.83
Rot. Bonds6

About 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide

2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 46355611) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID46355611
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc2[nH]c(CSCC(=O)Nc3ccc(C(C)C)cc3)cc(=O)c2c1
InChIInChI=1S/C22H24N2O2S/c1-14(2)16-5-7-17(8-6-16)24-22(26)13-27-12-18-11-21(25)19-10-15(3)4-9-20(19)23-18/h4-11,14H,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyMACIZHRWTJNZBK-UHFFFAOYSA-N
XLogP4.83
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355604
N-(3-chlorophenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355603
2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 22580168
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 22580167
N-(4-methoxyphenyl)-2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355420
2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355414
N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355722
2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 46355483
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355439
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
2-(cyanomethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 47166085
N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide
CID 75401152

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide (CID 46355611) is 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide is Cc1ccc2[nH]c(CSCC(=O)Nc3ccc(C(C)C)cc3)cc(=O)c2c1.
What is the InChIKey of 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is MACIZHRWTJNZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-14(2)16-5-7-17(8-6-16)24-22(26)13-27-12-18-11-21(25)19-10-15(3)4-9-20(19)23-18/h4-11,14H,12-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide?
2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 380.51 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46355611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).