N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C18H14Cl2N2OS — CID 9107262

IUPACN-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc12
InChIInChI=1S/C18H14Cl2N2OS/c1-11-9-17(21-15-8-3-2-5-12(11)15)24-10-16(23)22-18-13(19)6-4-7-14(18)20/h2-9H,10H2,1H3,(H,22,23)
InChIKeyKKUFAAAAXTYGDL-UHFFFAOYSA-N
MW377.30 g/mol
LogP5.58
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 9107262) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID9107262
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC NameN-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc12
InChIInChI=1S/C18H14Cl2N2OS/c1-11-9-17(21-15-8-3-2-5-12(11)15)24-10-16(23)22-18-13(19)6-4-7-14(18)20/h2-9H,10H2,1H3,(H,22,23)
InChIKeyKKUFAAAAXTYGDL-UHFFFAOYSA-N
XLogP5.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dichlorophenyl)-2-(4-methylquinolin-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

N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 18205272
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 2401714
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940
N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4798917
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 9107262) is N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc12.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is KKUFAAAAXTYGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c1-11-9-17(21-15-8-3-2-5-12(11)15)24-10-16(23)22-18-13(19)6-4-7-14(18)20/h2-9H,10H2,1H3,(H,22,23).
What are the key properties of N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 377.30 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 9107262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).