2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide

C17H14BrNO2S2 — CID 71804657

IUPAC2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2cccs2)s1)c1ccccc1Br
InChIInChI=1S/C17H14BrNO2S2/c18-13-5-2-1-4-12(13)17(21)19-10-11-7-8-15(23-11)16(20)14-6-3-9-22-14/h1-9,16,20H,10H2,(H,19,21)
InChIKeyIWGKGQJFQWIOSU-UHFFFAOYSA-N
MW408.34 g/mol
LogP4.58
Rot. Bonds5

About 2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide

2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 71804657) has the molecular formula C17H14BrNO2S2 and a molecular weight of 408.34 g/mol. Its IUPAC name is 2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID71804657
Molecular FormulaC17H14BrNO2S2
Molecular Weight408.34 g/mol
Exact Mass406.96
IUPAC Name2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2cccs2)s1)c1ccccc1Br
InChIInChI=1S/C17H14BrNO2S2/c18-13-5-2-1-4-12(13)17(21)19-10-11-7-8-15(23-11)16(20)14-6-3-9-22-14/h1-9,16,20H,10H2,(H,19,21)
InChIKeyIWGKGQJFQWIOSU-UHFFFAOYSA-N
XLogP4.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide (CID 71804657) is 2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(C(O)c2cccs2)s1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is IWGKGQJFQWIOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2S2/c18-13-5-2-1-4-12(13)17(21)19-10-11-7-8-15(23-11)16(20)14-6-3-9-22-14/h1-9,16,20H,10H2,(H,19,21).
What are the key properties of 2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 408.34 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 71804657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).