N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide

C21H22N2OS — CID 1169552

IUPACN-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)cc1
InChIInChI=1S/C21H22N2OS/c1-13-5-9-17(10-6-13)22-19(24)12-25-21-16(4)11-18-14(2)7-8-15(3)20(18)23-21/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyCAKDPMRZWBQOIN-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.20
Rot. Bonds4

About N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide

N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 1169552) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID1169552
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)cc1
InChIInChI=1S/C21H22N2OS/c1-13-5-9-17(10-6-13)22-19(24)12-25-21-16(4)11-18-14(2)7-8-15(3)20(18)23-21/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyCAKDPMRZWBQOIN-UHFFFAOYSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169549
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 3207775
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 1207153
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1207152
N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176184
ethyl 2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetate
CID 862895
N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 1450219
N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1154238
N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 3867369
N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40605922
N-(1,3-benzodioxol-5-yl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1138708

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide (CID 1169552) is N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is CAKDPMRZWBQOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-13-5-9-17(10-6-13)22-19(24)12-25-21-16(4)11-18-14(2)7-8-15(3)20(18)23-21/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide?
N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 350.49 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1169552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).