2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride

C9H14BrClN2O2S — CID 120987993

IUPAC2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1sccc1Br.Cl
InChIInChI=1S/C9H13BrN2O2S.ClH/c1-14-5-7(11)9(13)12-4-8-6(10)2-3-15-8;/h2-3,7H,4-5,11H2,1H3,(H,12,13);1H
InChIKeyYETVSGAFEIBJRI-UHFFFAOYSA-N
MW329.65 g/mol
LogP1.52
Rot. Bonds5

About 2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120987993) has the molecular formula C9H14BrClN2O2S and a molecular weight of 329.65 g/mol. Its IUPAC name is 2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120987993
Molecular FormulaC9H14BrClN2O2S
Molecular Weight329.65 g/mol
Exact Mass327.96
IUPAC Name2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1sccc1Br.Cl
InChIInChI=1S/C9H13BrN2O2S.ClH/c1-14-5-7(11)9(13)12-4-8-6(10)2-3-15-8;/h2-3,7H,4-5,11H2,1H3,(H,12,13);1H
InChIKeyYETVSGAFEIBJRI-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride
CID 119309779
2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 120993978
2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide
CID 81089667
N-[(3-bromothiophen-2-yl)methyl]-2-cyanopropanamide
CID 78996324
4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide
CID 103156291
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 103717860
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide
CID 120986246
2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120988226
3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
CID 78986182
N-[(3-bromothiophen-2-yl)methyl]-3-methylbut-2-enamide
CID 78986047

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride (CID 120987993) is 2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCc1sccc1Br.Cl.
What is the InChIKey of 2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is YETVSGAFEIBJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S.ClH/c1-14-5-7(11)9(13)12-4-8-6(10)2-3-15-8;/h2-3,7H,4-5,11H2,1H3,(H,12,13);1H.
What are the key properties of 2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 329.65 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120987993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).