N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide

C17H13BrN2OS — CID 7755220

IUPACN-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1cccc(Br)c1
InChIInChI=1S/C17H13BrN2OS/c18-13-5-3-6-14(10-13)19-16(21)11-22-17-9-8-12-4-1-2-7-15(12)20-17/h1-10H,11H2,(H,19,21)
InChIKeyTYAJBGSRAUTBHL-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.73
Rot. Bonds4

About N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide

N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 7755220) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID7755220
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC NameN-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1cccc(Br)c1
InChIInChI=1S/C17H13BrN2OS/c18-13-5-3-6-14(10-13)19-16(21)11-22-17-9-8-12-4-1-2-7-15(12)20-17/h1-10H,11H2,(H,19,21)
InChIKeyTYAJBGSRAUTBHL-UHFFFAOYSA-N
XLogP4.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278675
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 4237422
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-2-ylsulfanylacetamide
CID 1278676
N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755135
N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765764
N-(3-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3745372
N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7765787
N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 46302557
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide
CID 1409074
N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 2241315

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide (CID 7755220) is N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2n1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is TYAJBGSRAUTBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c18-13-5-3-6-14(10-13)19-16(21)11-22-17-9-8-12-4-1-2-7-15(12)20-17/h1-10H,11H2,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide?
N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 373.28 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 7755220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).