N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide

C20H19ClN2OS — CID 1244383

IUPACN-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1cc(C)c2cccc(C)c2n1
InChIInChI=1S/C20H19ClN2OS/c1-12-7-8-15(21)10-17(12)22-18(24)11-25-19-9-14(3)16-6-4-5-13(2)20(16)23-19/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeySZQIPQVVQHEIHX-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.54
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide

N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 1244383) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
PubChem CID1244383
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1cc(C)c2cccc(C)c2n1
InChIInChI=1S/C20H19ClN2OS/c1-12-7-8-15(21)10-17(12)22-18(24)11-25-19-9-14(3)16-6-4-5-13(2)20(16)23-19/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeySZQIPQVVQHEIHX-UHFFFAOYSA-N
XLogP5.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide (CID 1244383) is N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide is Cc1ccc(Cl)cc1NC(=O)CSc1cc(C)c2cccc(C)c2n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is SZQIPQVVQHEIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-12-7-8-15(21)10-17(12)22-18(24)11-25-19-9-14(3)16-6-4-5-13(2)20(16)23-19/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide?
N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 370.91 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1244383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).