2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide

C18H16BrNO2S2 — CID 155801431

IUPAC2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCc2ccc(-c3cccs3)s2)c1
InChIInChI=1S/C18H16BrNO2S2/c1-22-12-4-6-15(19)14(11-12)18(21)20-9-8-13-5-7-17(24-13)16-3-2-10-23-16/h2-7,10-11H,8-9H2,1H3,(H,20,21)
InChIKeyHVKQXCZADRXZKC-UHFFFAOYSA-N
MW422.37 g/mol
LogP5.22
Rot. Bonds6

About 2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide

2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide (PubChem CID 155801431) has the molecular formula C18H16BrNO2S2 and a molecular weight of 422.37 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide
PubChem CID155801431
Molecular FormulaC18H16BrNO2S2
Molecular Weight422.37 g/mol
Exact Mass420.98
IUPAC Name2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCc2ccc(-c3cccs3)s2)c1
InChIInChI=1S/C18H16BrNO2S2/c1-22-12-4-6-15(19)14(11-12)18(21)20-9-8-13-5-7-17(24-13)16-3-2-10-23-16/h2-7,10-11H,8-9H2,1H3,(H,20,21)
InChIKeyHVKQXCZADRXZKC-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.37
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide
CID 121019446
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N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
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2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227142
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774139
2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide
CID 30522406
N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
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CID 107847455

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide (CID 155801431) is 2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide is COc1ccc(Br)c(C(=O)NCCc2ccc(-c3cccs3)s2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide?
The InChIKey is HVKQXCZADRXZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2S2/c1-22-12-4-6-15(19)14(11-12)18(21)20-9-8-13-5-7-17(24-13)16-3-2-10-23-16/h2-7,10-11H,8-9H2,1H3,(H,20,21).
What are the key properties of 2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide?
2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide has a molecular weight of 422.37 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 155801431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).