N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C17H14ClN3OS — CID 2098997

IUPACN-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cccnc2Cl)nc2ccccc12
InChIInChI=1S/C17H14ClN3OS/c1-11-9-16(21-13-6-3-2-5-12(11)13)23-10-15(22)20-14-7-4-8-19-17(14)18/h2-9H,10H2,1H3,(H,20,22)
InChIKeyIUZYRUMKEQCNIK-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.32
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 2098997) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID2098997
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cccnc2Cl)nc2ccccc12
InChIInChI=1S/C17H14ClN3OS/c1-11-9-16(21-13-6-3-2-5-12(11)13)23-10-15(22)20-14-7-4-8-19-17(14)18/h2-9H,10H2,1H3,(H,20,22)
InChIKeyIUZYRUMKEQCNIK-UHFFFAOYSA-N
XLogP4.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenylsulfonyl)-2-methyl-N-(quinolin-3-yl)propanamide
CID 44569506
5-[(7-Chloroquinolin-3-yl)sulfanylmethyl]-1,4-dihydropyrazine-2,3-dione
CID 166952036
N-(3,5-dichloro-2-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2369856
N-(3,5-dichloro-2-pyridinyl)-2-[(4-methyl-2-quinolinyl)thio]propanamide
CID 3913264
2-[(4-Chloro-phenylcarbamoyl)-methanesulfinyl]-N-quinolin-3-yl-acetamide
CID 24762124
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-phenylsulfanylacetamide
CID 42743609
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylsulfanylacetamide
CID 42743666
2-(2-chloro-4-fluorophenylsulfonyl)-2-methyl-N-(quinolin-3-yl)propanamide
CID 44569455
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 9594928
N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-acetamide
CID 57328866
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 57328869
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-N-(2-chloro-3-pyridyl)acetamide
CID 57328938

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 2098997) is N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2cccnc2Cl)nc2ccccc12.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is IUZYRUMKEQCNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-9-16(21-13-6-3-2-5-12(11)13)23-10-15(22)20-14-7-4-8-19-17(14)18/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 343.84 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2098997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).