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

C17H13Cl2N3OS — CID 2369856

IUPACN-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C17H13Cl2N3OS/c1-10-6-16(21-14-5-3-2-4-12(10)14)24-9-15(23)22-17-13(19)7-11(18)8-20-17/h2-8H,9H2,1H3,(H,20,22,23)
InChIKeyOFKKXKXKIMLDDG-UHFFFAOYSA-N
MW378.28 g/mol
LogP4.98
Rot. Bonds4

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

N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 2369856) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID2369856
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C17H13Cl2N3OS/c1-10-6-16(21-14-5-3-2-4-12(10)14)24-9-15(23)22-17-13(19)7-11(18)8-20-17/h2-8H,9H2,1H3,(H,20,22,23)
InChIKeyOFKKXKXKIMLDDG-UHFFFAOYSA-N
XLogP4.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 54.98
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-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 2369856) is N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is OFKKXKXKIMLDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c1-10-6-16(21-14-5-3-2-4-12(10)14)24-9-15(23)22-17-13(19)7-11(18)8-20-17/h2-8H,9H2,1H3,(H,20,22,23).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 378.28 g/mol, XLogP of 4.98, 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-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2369856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).