N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide

C17H13ClN2O2S — CID 46302557

IUPACN-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C17H13ClN2O2S/c18-12-6-7-15(21)14(9-12)19-16(22)10-23-17-8-5-11-3-1-2-4-13(11)20-17/h1-9,21H,10H2,(H,19,22)
InChIKeyHNIYVBXBDKAAQH-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.32
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide

N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 46302557) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID46302557
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C17H13ClN2O2S/c18-12-6-7-15(21)14(9-12)19-16(22)10-23-17-8-5-11-3-1-2-4-13(11)20-17/h1-9,21H,10H2,(H,19,22)
InChIKeyHNIYVBXBDKAAQH-UHFFFAOYSA-N
XLogP4.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755341
N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755226
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765768
N-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875
N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide
CID 39765776
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755220
N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide
CID 55597378
N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755322
5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
CID 7754724

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide (CID 46302557) is N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2n1)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is HNIYVBXBDKAAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-12-6-7-15(21)14(9-12)19-16(22)10-23-17-8-5-11-3-1-2-4-13(11)20-17/h1-9,21H,10H2,(H,19,22).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 344.82 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 46302557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).