3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide

C14H12Br2N2O2S — CID 32776893

IUPAC3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(Br)s1
InChIInChI=1S/C14H12Br2N2O2S/c15-10-3-1-2-9(6-10)14(20)18-8-13(19)17-7-11-4-5-12(16)21-11/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKeyGNEPNEJENPLLFJ-UHFFFAOYSA-N
MW432.14 g/mol
LogP3.32
Rot. Bonds5

About 3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide

3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 32776893) has the molecular formula C14H12Br2N2O2S and a molecular weight of 432.14 g/mol. Its IUPAC name is 3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID32776893
Molecular FormulaC14H12Br2N2O2S
Molecular Weight432.14 g/mol
Exact Mass429.90
IUPAC Name3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(Br)s1
InChIInChI=1S/C14H12Br2N2O2S/c15-10-3-1-2-9(6-10)14(20)18-8-13(19)17-7-11-4-5-12(16)21-11/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKeyGNEPNEJENPLLFJ-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.14
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 32776912
N-[(5-bromothiophen-2-yl)methyl]-3-(chloromethyl)benzamide
CID 54900304
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[2-(3-aminopropylamino)-2-oxoethyl]-3-bromobenzamide
CID 119405892
3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
CID 115613542
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
CID 112997289
3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120831532
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide (CID 32776893) is 3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(Br)s1.
What is the InChIKey of 3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is GNEPNEJENPLLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2S/c15-10-3-1-2-9(6-10)14(20)18-8-13(19)17-7-11-4-5-12(16)21-11/h1-6H,7-8H2,(H,17,19)(H,18,20).
What are the key properties of 3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 432.14 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 32776893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).