2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide

C18H15BrN2OS — CID 1381063

IUPAC2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide
SMILESO=C(CSCc1cccc(Br)c1)Nc1cccc2cccnc12
InChIInChI=1S/C18H15BrN2OS/c19-15-7-1-4-13(10-15)11-23-12-17(22)21-16-8-2-5-14-6-3-9-20-18(14)16/h1-10H,11-12H2,(H,21,22)
InChIKeyMUJGUPHEDCBKLY-UHFFFAOYSA-N
MW387.30 g/mol
LogP4.87
Rot. Bonds5

About 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide

2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide (PubChem CID 1381063) has the molecular formula C18H15BrN2OS and a molecular weight of 387.30 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide
PubChem CID1381063
Molecular FormulaC18H15BrN2OS
Molecular Weight387.30 g/mol
Exact Mass386.01
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide
SMILESO=C(CSCc1cccc(Br)c1)Nc1cccc2cccnc12
InChIInChI=1S/C18H15BrN2OS/c19-15-7-1-4-13(10-15)11-23-12-17(22)21-16-8-2-5-14-6-3-9-20-18(14)16/h1-10H,11-12H2,(H,21,22)
InChIKeyMUJGUPHEDCBKLY-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7699280
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
2-[(3-bromophenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 47003826
2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide
CID 8897928
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
CID 47035823

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide (CID 1381063) is 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide is O=C(CSCc1cccc(Br)c1)Nc1cccc2cccnc12.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide?
The InChIKey is MUJGUPHEDCBKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS/c19-15-7-1-4-13(10-15)11-23-12-17(22)21-16-8-2-5-14-6-3-9-20-18(14)16/h1-10H,11-12H2,(H,21,22).
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide?
2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide has a molecular weight of 387.30 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 1381063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).