N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide

C19H18N2OS — CID 776900

IUPACN-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2cccc3cccnc23)c1C
InChIInChI=1S/C19H18N2OS/c1-13-6-3-9-16(14(13)2)21-18(22)12-23-17-10-4-7-15-8-5-11-20-19(15)17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyBRCCYPFQOAWJMO-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.58
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide

N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 776900) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
PubChem CID776900
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2cccc3cccnc23)c1C
InChIInChI=1S/C19H18N2OS/c1-13-6-3-9-16(14(13)2)21-18(22)12-23-17-10-4-7-15-8-5-11-20-19(15)17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyBRCCYPFQOAWJMO-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide (CID 776900) is N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide is Cc1cccc(NC(=O)CSc2cccc3cccnc23)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is BRCCYPFQOAWJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-6-3-9-16(14(13)2)21-18(22)12-23-17-10-4-7-15-8-5-11-20-19(15)17/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide?
N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 322.43 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 776900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).