N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide

C18H15ClN2OS — CID 7755233

IUPACN-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)NCc1ccccc1Cl
InChIInChI=1S/C18H15ClN2OS/c19-15-7-3-1-6-14(15)11-20-17(22)12-23-18-10-9-13-5-2-4-8-16(13)21-18/h1-10H,11-12H2,(H,20,22)
InChIKeyNICIHSDLRYJNBF-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.30
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide

N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 7755233) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide
PubChem CID7755233
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)NCc1ccccc1Cl
InChIInChI=1S/C18H15ClN2OS/c19-15-7-3-1-6-14(15)11-20-17(22)12-23-18-10-9-13-5-2-4-8-16(13)21-18/h1-10H,11-12H2,(H,20,22)
InChIKeyNICIHSDLRYJNBF-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide 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-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 35990470
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8543095
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-quinolin-2-ylsulfanylacetamide
CID 41165001
N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 46302557
2-quinolin-2-ylsulfanylacetamide
CID 2056006
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
N-[(2-chlorophenyl)methyl]-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanylacetamide
CID 6621004
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 7963534
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835
N-[(2-chlorophenyl)methyl]-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699366

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide (CID 7755233) is N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2n1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is NICIHSDLRYJNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c19-15-7-3-1-6-14(15)11-20-17(22)12-23-18-10-9-13-5-2-4-8-16(13)21-18/h1-10H,11-12H2,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide?
N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 342.85 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 7755233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).