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

C22H24N2OS — CID 1176184

IUPACN-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2c(C)ccc(C)c2nc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C22H24N2OS/c1-15-9-10-16(2)21-19(15)13-17(3)22(24-21)26-14-20(25)23-12-11-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3,(H,23,25)
InChIKeyUWYDMAQBHATUFS-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.61
Rot. Bonds6

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

N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 1176184) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID1176184
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC NameN-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc2c(C)ccc(C)c2nc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C22H24N2OS/c1-15-9-10-16(2)21-19(15)13-17(3)22(24-21)26-14-20(25)23-12-11-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3,(H,23,25)
InChIKeyUWYDMAQBHATUFS-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide 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-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3207699
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 1173473
4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 23609750
N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169552
ethyl 2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetate
CID 862895
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 22768951
2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 4134464
2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 982912
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3686573
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 43303113
N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 864546
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide (CID 1176184) is N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide is Cc1cc2c(C)ccc(C)c2nc1SCC(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is UWYDMAQBHATUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-15-9-10-16(2)21-19(15)13-17(3)22(24-21)26-14-20(25)23-12-11-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3,(H,23,25).
What are the key properties of N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide?
N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 364.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1176184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).