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

C9H13BrN2OS — CID 60999476

IUPAC2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
SMILESCNC(=O)CNC(C)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-6(12-5-9(13)11-2)7-3-4-8(10)14-7/h3-4,6,12H,5H2,1-2H3,(H,11,13)
InChIKeyMFQLQVXOLAEZGM-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.91
Rot. Bonds4

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

2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide (PubChem CID 60999476) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
PubChem CID60999476
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
SMILESCNC(=O)CNC(C)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-6(12-5-9(13)11-2)7-3-4-8(10)14-7/h3-4,6,12H,5H2,1-2H3,(H,11,13)
InChIKeyMFQLQVXOLAEZGM-UHFFFAOYSA-N
XLogP1.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide
CID 81296450
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 61474369
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66090594
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127
2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide
CID 60999483
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide
CID 103107430

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide?
The IUPAC name of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide (CID 60999476) is 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide is CNC(=O)CNC(C)c1ccc(Br)s1.
What is the InChIKey of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide?
The InChIKey is MFQLQVXOLAEZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-6(12-5-9(13)11-2)7-3-4-8(10)14-7/h3-4,6,12H,5H2,1-2H3,(H,11,13).
What are the key properties of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide?
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide has a molecular weight of 277.19 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 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-methylacetamide is sourced from PubChem (CID 60999476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).