N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide

C18H15BrN2OS — CID 39765764

IUPACN-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccc2ccccc2n1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2OS/c19-14-6-8-15(9-7-14)20-17(22)11-12-23-18-10-5-13-3-1-2-4-16(13)21-18/h1-10H,11-12H2,(H,20,22)
InChIKeyMYQTXBVWNIHVLT-UHFFFAOYSA-N
MW387.30 g/mol
LogP5.12
Rot. Bonds5

About N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide

N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide (PubChem CID 39765764) has the molecular formula C18H15BrN2OS and a molecular weight of 387.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide
PubChem CID39765764
Molecular FormulaC18H15BrN2OS
Molecular Weight387.30 g/mol
Exact Mass386.01
IUPAC NameN-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccc2ccccc2n1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2OS/c19-14-6-8-15(9-7-14)20-17(22)11-12-23-18-10-5-13-3-1-2-4-16(13)21-18/h1-10H,11-12H2,(H,20,22)
InChIKeyMYQTXBVWNIHVLT-UHFFFAOYSA-N
XLogP5.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.30
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 2241315
3-quinolin-2-ylsulfanylpropanoic acid
CID 661670
N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755220
N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765768
N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765830
CID 20843421
CID 20843421
N-(4-bromophenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23745961
N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide
CID 39765776
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide (CID 39765764) is N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide is O=C(CCSc1ccc2ccccc2n1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide?
The InChIKey is MYQTXBVWNIHVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS/c19-14-6-8-15(9-7-14)20-17(22)11-12-23-18-10-5-13-3-1-2-4-16(13)21-18/h1-10H,11-12H2,(H,20,22).
What are the key properties of N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide?
N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide has a molecular weight of 387.30 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 39765764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).