2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

C17H16BrN3O2S — CID 121139929

IUPAC2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCn2ccc(-c3cccs3)n2)c1
InChIInChI=1S/C17H16BrN3O2S/c1-23-12-4-5-14(18)13(11-12)17(22)19-7-9-21-8-6-15(20-21)16-3-2-10-24-16/h2-6,8,10-11H,7,9H2,1H3,(H,19,22)
InChIKeyDRCWGTVFOZUGGL-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.81
Rot. Bonds6

About 2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 121139929) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID121139929
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC Name2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCn2ccc(-c3cccs3)n2)c1
InChIInChI=1S/C17H16BrN3O2S/c1-23-12-4-5-14(18)13(11-12)17(22)19-7-9-21-8-6-15(20-21)16-3-2-10-24-16/h2-6,8,10-11H,7,9H2,1H3,(H,19,22)
InChIKeyDRCWGTVFOZUGGL-UHFFFAOYSA-N
XLogP3.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139935
methyl 4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethylcarbamoyl]benzoate
CID 71808131
2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide
CID 155801431
2,5-dichloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139893
2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide
CID 121139809
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71808092
1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 71808177
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 71808130
3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905657
2-bromo-N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 72718634
2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136636632
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (CID 121139929) is 2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is COc1ccc(Br)c(C(=O)NCCn2ccc(-c3cccs3)n2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is DRCWGTVFOZUGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-23-12-4-5-14(18)13(11-12)17(22)19-7-9-21-8-6-15(20-21)16-3-2-10-24-16/h2-6,8,10-11H,7,9H2,1H3,(H,19,22).
What are the key properties of 2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 406.31 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 121139929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).