N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C18H15Cl2N3OS — CID 2549639

IUPACN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1nc(NC(=O)CSc2cc(C)c3ccccc3n2)c(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3OS/c1-10-7-17(22-15-6-4-3-5-12(10)15)25-9-16(24)23-18-14(20)8-13(19)11(2)21-18/h3-8H,9H2,1-2H3,(H,21,23,24)
InChIKeyTYLJNAQCFJPNBS-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.28
Rot. Bonds4

About N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 2549639) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID2549639
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1nc(NC(=O)CSc2cc(C)c3ccccc3n2)c(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3OS/c1-10-7-17(22-15-6-4-3-5-12(10)15)25-9-16(24)23-18-14(20)8-13(19)11(2)21-18/h3-8H,9H2,1-2H3,(H,21,23,24)
InChIKeyTYLJNAQCFJPNBS-UHFFFAOYSA-N
XLogP5.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 2549639) is N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1nc(NC(=O)CSc2cc(C)c3ccccc3n2)c(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is TYLJNAQCFJPNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-10-7-17(22-15-6-4-3-5-12(10)15)25-9-16(24)23-18-14(20)8-13(19)11(2)21-18/h3-8H,9H2,1-2H3,(H,21,23,24).
What are the key properties of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 392.31 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2549639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).