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

C22H24N2O3S — CID 46355668

IUPAC2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSCc1cc(=O)c2c(C)ccc(C)c2[nH]1
InChIInChI=1S/C22H24N2O3S/c1-4-27-19-8-6-5-7-17(19)24-20(26)13-28-12-16-11-18(25)21-14(2)9-10-15(3)22(21)23-16/h5-11H,4,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQSVCYSPYQZGPJQ-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.42
Rot. Bonds7

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

2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 46355668) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
PubChem CID46355668
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSCc1cc(=O)c2c(C)ccc(C)c2[nH]1
InChIInChI=1S/C22H24N2O3S/c1-4-27-19-8-6-5-7-17(19)24-20(26)13-28-12-16-11-18(25)21-14(2)9-10-15(3)22(21)23-16/h5-11H,4,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQSVCYSPYQZGPJQ-UHFFFAOYSA-N
XLogP4.42
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 46355625
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 46355444
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769058
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
4-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 1412043
2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 92936508
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
2-[(2-ethoxyphenyl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18084613
N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1412036
5-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]furan-2-carboxylic acid
CID 28896261

Frequently Asked Questions

What is the IUPAC name of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide (CID 46355668) is 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSCc1cc(=O)c2c(C)ccc(C)c2[nH]1.
What is the InChIKey of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is QSVCYSPYQZGPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-4-27-19-8-6-5-7-17(19)24-20(26)13-28-12-16-11-18(25)21-14(2)9-10-15(3)22(21)23-16/h5-11H,4,12-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide?
2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 396.51 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 46355668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).