2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

C19H17ClN2O2S — CID 46503414

IUPAC2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1cc(Cl)nc2ccc(C)cc12
InChIInChI=1S/C19H17ClN2O2S/c1-12-7-8-14-13(9-12)17(10-18(20)21-14)25-11-19(23)22-15-5-3-4-6-16(15)24-2/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyCTDCZTIEZKACTQ-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.94
Rot. Bonds5

About 2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 46503414) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID46503414
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1cc(Cl)nc2ccc(C)cc12
InChIInChI=1S/C19H17ClN2O2S/c1-12-7-8-14-13(9-12)17(10-18(20)21-14)25-11-19(23)22-15-5-3-4-6-16(15)24-2/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyCTDCZTIEZKACTQ-UHFFFAOYSA-N
XLogP4.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.94
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-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 40701025
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2379808
N-(2-methoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135518456
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357608
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 2522571
N-(2-methoxy-5-methylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 16507527
2-[3-[3-[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 46370309
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 43306176
N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
N-(2,5-dimethylphenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639859

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (CID 46503414) is 2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1cc(Cl)nc2ccc(C)cc12.
What is the InChIKey of 2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is CTDCZTIEZKACTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-12-7-8-14-13(9-12)17(10-18(20)21-14)25-11-19(23)22-15-5-3-4-6-16(15)24-2/h3-10H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 372.88 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylquinolin-4-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 46503414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).