N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide

C20H16BrN3O2S — CID 43812451

IUPACN-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Br)nc2c1
InChIInChI=1S/C20H16BrN3O2S/c1-2-26-15-8-7-13-9-14(11-22)20(24-18(13)10-15)27-12-19(25)23-17-6-4-3-5-16(17)21/h3-10H,2,12H2,1H3,(H,23,25)
InChIKeyAGIXHWIIWJNVDV-UHFFFAOYSA-N
MW442.34 g/mol
LogP5.00
Rot. Bonds6

About N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide

N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide (PubChem CID 43812451) has the molecular formula C20H16BrN3O2S and a molecular weight of 442.34 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide
PubChem CID43812451
Molecular FormulaC20H16BrN3O2S
Molecular Weight442.34 g/mol
Exact Mass441.01
IUPAC NameN-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Br)nc2c1
InChIInChI=1S/C20H16BrN3O2S/c1-2-26-15-8-7-13-9-14(11-22)20(24-18(13)10-15)27-12-19(25)23-17-6-4-3-5-16(17)21/h3-10H,2,12H2,1H3,(H,23,25)
InChIKeyAGIXHWIIWJNVDV-UHFFFAOYSA-N
XLogP5.00
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 43812452
methyl 2-[[2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1374306
N-(1,3-benzodioxol-5-yl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide
CID 43811558
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 995950
N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide
CID 3318729
N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
CID 1076923
2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 1450481
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1151269
methyl 4-[[2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995960
methyl 2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetate
CID 865487
N-(2-bromophenyl)-2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide
CID 23803951
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetamide
CID 865483

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide (CID 43812451) is N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide is CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Br)nc2c1.
What is the InChIKey of N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide?
The InChIKey is AGIXHWIIWJNVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2S/c1-2-26-15-8-7-13-9-14(11-22)20(24-18(13)10-15)27-12-19(25)23-17-6-4-3-5-16(17)21/h3-10H,2,12H2,1H3,(H,23,25).
What are the key properties of N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide?
N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide has a molecular weight of 442.34 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 43812451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).