2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide

C25H30BrN5O2S — CID 20628434

IUPAC2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(Br)cc1CSc1nc2ccccc2nc1N1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C25H30BrN5O2S/c1-17(2)27-23(32)15-30-10-12-31(13-11-30)24-25(29-21-7-5-4-6-20(21)28-24)34-16-18-14-19(26)8-9-22(18)33-3/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,27,32)
InChIKeyHNXAWXSDCLGLQG-UHFFFAOYSA-N
MW544.52 g/mol
LogP4.34
Rot. Bonds8

About 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 20628434) has the molecular formula C25H30BrN5O2S and a molecular weight of 544.52 g/mol. Its IUPAC name is 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID20628434
Molecular FormulaC25H30BrN5O2S
Molecular Weight544.52 g/mol
Exact Mass543.13
IUPAC Name2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(Br)cc1CSc1nc2ccccc2nc1N1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C25H30BrN5O2S/c1-17(2)27-23(32)15-30-10-12-31(13-11-30)24-25(29-21-7-5-4-6-20(21)28-24)34-16-18-14-19(26)8-9-22(18)33-3/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,27,32)
InChIKeyHNXAWXSDCLGLQG-UHFFFAOYSA-N
XLogP4.34
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[N-[(5-bromo-2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperazin-1-yl]-N-propan-2-ylacetamide;hydroiodide
CID 111366648
N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332652
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-piperazin-1-yl-6,7-dihydroquinoxaline
CID 22744916
[3-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]piperazin-1-yl]propyl-dimethylazaniumyl]formate
CID 69204439
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoline
CID 69237606
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 129075200
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8546590
2-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 47117609
2-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 78797905
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
4-bromo-2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]benzoic acid
CID 115382068
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687289

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 20628434) is 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide is COc1ccc(Br)cc1CSc1nc2ccccc2nc1N1CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is HNXAWXSDCLGLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrN5O2S/c1-17(2)27-23(32)15-30-10-12-31(13-11-30)24-25(29-21-7-5-4-6-20(21)28-24)34-16-18-14-19(26)8-9-22(18)33-3/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,27,32).
What are the key properties of 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 544.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 20628434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).