N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide

C19H18N2OS — CID 7755203

IUPACN-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1C
InChIInChI=1S/C19H18N2OS/c1-13-7-9-16(11-14(13)2)20-18(22)12-23-19-10-8-15-5-3-4-6-17(15)21-19/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyAVSNYCPRPWUORS-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.58
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide

N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 7755203) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID7755203
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1C
InChIInChI=1S/C19H18N2OS/c1-13-7-9-16(11-14(13)2)20-18(22)12-23-19-10-8-15-5-3-4-6-17(15)21-19/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyAVSNYCPRPWUORS-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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Related Compounds

N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755135
N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755220
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-2-ylsulfanylacetamide
CID 1278676
2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278675
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide
CID 1409074
N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712476
N-(5-chloro-2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755341
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 53489643
N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 46302557
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide (CID 7755203) is N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide is Cc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is AVSNYCPRPWUORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-7-9-16(11-14(13)2)20-18(22)12-23-19-10-8-15-5-3-4-6-17(15)21-19/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide?
N-(3,4-dimethylphenyl)-2-quinolin-2-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-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 7755203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).