2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide

C9H13BrN2O2S — CID 115750331

IUPAC2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide
SMILESCOc1sc(CNC(C)C(N)=O)cc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-5(8(11)13)12-4-6-3-7(10)9(14-2)15-6/h3,5,12H,4H2,1-2H3,(H2,11,13)
InChIKeyQKGLGWHCMNXQII-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.48
Rot. Bonds5

About 2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide

2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide (PubChem CID 115750331) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide
PubChem CID115750331
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide
SMILESCOc1sc(CNC(C)C(N)=O)cc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-5(8(11)13)12-4-6-3-7(10)9(14-2)15-6/h3,5,12H,4H2,1-2H3,(H2,11,13)
InChIKeyQKGLGWHCMNXQII-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine
CID 115750295
(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol
CID 103884123
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115750427
2-[[(4-bromo-5-methoxythiophen-2-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122127736
methyl 2-[(4,5-dimethylthiophen-2-yl)methylamino]propanoate
CID 65243717
2-[(3,5-dimethoxyphenyl)methylamino]propanamide
CID 43402365
2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
CID 102831700
2-[(4-bromo-3-methylphenyl)methylamino]propanamide
CID 66474598
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 115750363
3-[(4-bromo-5-methoxythiophen-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115750489
2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866320

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide?
The IUPAC name of 2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide (CID 115750331) is 2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide.
What is the SMILES notation for 2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide?
The canonical SMILES for 2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide is COc1sc(CNC(C)C(N)=O)cc1Br.
What is the InChIKey of 2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide?
The InChIKey is QKGLGWHCMNXQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-5(8(11)13)12-4-6-3-7(10)9(14-2)15-6/h3,5,12H,4H2,1-2H3,(H2,11,13).
What are the key properties of 2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide?
2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide has a molecular weight of 293.19 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide is sourced from PubChem (CID 115750331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).