2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide

C12H19BrN2OS — CID 103107430

IUPAC2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(C)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2OS/c1-5-15(4)12(16)9(3)14-8(2)10-6-7-11(13)17-10/h6-9,14H,5H2,1-4H3
InChIKeyAENINVLLFPREFP-UHFFFAOYSA-N
MW319.27 g/mol
LogP3.03
Rot. Bonds5

About 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide

2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103107430) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide
PubChem CID103107430
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(C)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2OS/c1-5-15(4)12(16)9(3)14-8(2)10-6-7-11(13)17-10/h6-9,14H,5H2,1-4H3
InChIKeyAENINVLLFPREFP-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
CID 60999476
N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide
CID 103106950
3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 81338565
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721712
2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
4-[2-(5-bromothiophen-2-yl)propanoyl-methylamino]butanoic acid
CID 119173245
(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 97051516
2-(1,1-difluoropropan-2-ylamino)-N-ethyl-N-methylpropanamide
CID 103107862
2-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]-N-ethyl-N-methylpropanamide
CID 136713555
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119507663

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide (CID 103107430) is 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NC(C)c1ccc(Br)s1.
What is the InChIKey of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is AENINVLLFPREFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-5-15(4)12(16)9(3)14-8(2)10-6-7-11(13)17-10/h6-9,14H,5H2,1-4H3.
What are the key properties of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide?
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 319.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103107430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).