2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide

C26H24N2O3S — CID 1440330

IUPAC2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C26H24N2O3S/c1-30-22-14-21(15-23(16-22)31-2)27-25(29)17-32-26-20(12-18-8-4-3-5-9-18)13-19-10-6-7-11-24(19)28-26/h3-11,13-16H,12,17H2,1-2H3,(H,27,29)
InChIKeyVQJJKDMFGIFZRZ-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.57
Rot. Bonds8

About 2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide

2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 1440330) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID1440330
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C26H24N2O3S/c1-30-22-14-21(15-23(16-22)31-2)27-25(29)17-32-26-20(12-18-8-4-3-5-9-18)13-19-10-6-7-11-24(19)28-26/h3-11,13-16H,12,17H2,1-2H3,(H,27,29)
InChIKeyVQJJKDMFGIFZRZ-UHFFFAOYSA-N
XLogP5.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide
CID 855603
N-(4-methoxyphenyl)-3-(2-quinolinylthio)propanamide
CID 890011
2-(3-Benzyl-quinolin-2-ylsulfanyl)-N-(2,5-dimethoxy-phenyl)-acetamide
CID 1440307
7-Methoxy-2-[2-oxo-2-(3-oxo-3,4-dihydro-2H-quinoxalin-1-yl)-ethylsulfanyl]-quinoline-3-carbonitrile
CID 1450522
2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 1727849
2-(7-Methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 2083100
N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
CID 2122050
N-(4-ethoxyphenyl)-3-(quinolin-2-ylthio)propanamide
CID 2241313
N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 2588947
2-(3-Benzyl-quinolin-2-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide
CID 3206680
N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323054
N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323080

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide (CID 1440330) is 2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc(OC)c1.
What is the InChIKey of 2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is VQJJKDMFGIFZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-30-22-14-21(15-23(16-22)31-2)27-25(29)17-32-26-20(12-18-8-4-3-5-9-18)13-19-10-6-7-11-24(19)28-26/h3-11,13-16H,12,17H2,1-2H3,(H,27,29).
What are the key properties of 2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 444.56 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1440330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).