1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone

C12H18BrNO2S — CID 82950806

IUPAC1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone
SMILESCOCCN(CC(=O)c1ccc(Br)s1)C(C)C
InChIInChI=1S/C12H18BrNO2S/c1-9(2)14(6-7-16-3)8-10(15)11-4-5-12(13)17-11/h4-5,9H,6-8H2,1-3H3
InChIKeyFZALHHNJNFEPKR-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.05
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone

1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone (PubChem CID 82950806) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone
PubChem CID82950806
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone
SMILESCOCCN(CC(=O)c1ccc(Br)s1)C(C)C
InChIInChI=1S/C12H18BrNO2S/c1-9(2)14(6-7-16-3)8-10(15)11-4-5-12(13)17-11/h4-5,9H,6-8H2,1-3H3
InChIKeyFZALHHNJNFEPKR-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008744
N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
CID 78986456
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 61073233
1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796956
2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone
CID 62051248
2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 82951827
5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 82959594
1-(5-bromothiophen-2-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413943
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
2-[(5-bromothiophene-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478929
ethyl (2S)-4-(5-bromothiophen-2-yl)-2-methyl-4-oxobutanoate
CID 125473072

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone (CID 82950806) is 1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone is COCCN(CC(=O)c1ccc(Br)s1)C(C)C.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone?
The InChIKey is FZALHHNJNFEPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-9(2)14(6-7-16-3)8-10(15)11-4-5-12(13)17-11/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone has a molecular weight of 320.25 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 82950806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).