2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide

C18H16BrNO3S — CID 121019446

IUPAC2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCc2ccc(-c3ccoc3)s2)c1
InChIInChI=1S/C18H16BrNO3S/c1-22-13-2-4-16(19)15(10-13)18(21)20-8-6-14-3-5-17(24-14)12-7-9-23-11-12/h2-5,7,9-11H,6,8H2,1H3,(H,20,21)
InChIKeyJRLVDPLBELBVAA-UHFFFAOYSA-N
MW406.30 g/mol
LogP4.75
Rot. Bonds6

About 2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide

2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide (PubChem CID 121019446) has the molecular formula C18H16BrNO3S and a molecular weight of 406.30 g/mol. Its IUPAC name is 2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide
PubChem CID121019446
Molecular FormulaC18H16BrNO3S
Molecular Weight406.30 g/mol
Exact Mass405.00
IUPAC Name2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCc2ccc(-c3ccoc3)s2)c1
InChIInChI=1S/C18H16BrNO3S/c1-22-13-2-4-16(19)15(10-13)18(21)20-8-6-14-3-5-17(24-14)12-7-9-23-11-12/h2-5,7,9-11H,6,8H2,1H3,(H,20,21)
InChIKeyJRLVDPLBELBVAA-UHFFFAOYSA-N
XLogP4.75
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-methoxy-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]benzamide
CID 155801431
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
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-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
CID 103773107
2-chloro-6-fluoro-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]benzamide
CID 119102178
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685066

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide (CID 121019446) is 2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCCc2ccc(-c3ccoc3)s2)c1.
What is the InChIKey of 2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide?
The InChIKey is JRLVDPLBELBVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3S/c1-22-13-2-4-16(19)15(10-13)18(21)20-8-6-14-3-5-17(24-14)12-7-9-23-11-12/h2-5,7,9-11H,6,8H2,1H3,(H,20,21).
What are the key properties of 2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide?
2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide has a molecular weight of 406.30 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide is sourced from PubChem (CID 121019446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).