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

C12H19BrN2OS — CID 81296450

IUPAC2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2OS/c1-8(9-5-6-10(13)17-9)14-7-11(16)15-12(2,3)4/h5-6,8,14H,7H2,1-4H3,(H,15,16)
InChIKeyPBSNTAAUJYCXFV-UHFFFAOYSA-N
MW319.27 g/mol
LogP3.08
Rot. Bonds4

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

2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide (PubChem CID 81296450) 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-tert-butylacetamide.

Molecular Properties

Compound Name2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide
PubChem CID81296450
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2OS/c1-8(9-5-6-10(13)17-9)14-7-11(16)15-12(2,3)4/h5-6,8,14H,7H2,1-4H3,(H,15,16)
InChIKeyPBSNTAAUJYCXFV-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
CID 60999476
N-tert-butyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 81296864
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580
(1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine
CID 97322543
2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
CID 103522146
2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide
CID 103776829

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide (CID 81296450) is 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide is CC(NCC(=O)NC(C)(C)C)c1ccc(Br)s1.
What is the InChIKey of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide?
The InChIKey is PBSNTAAUJYCXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-8(9-5-6-10(13)17-9)14-7-11(16)15-12(2,3)4/h5-6,8,14H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide?
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide has a molecular weight of 319.27 g/mol, XLogP of 3.08, 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-tert-butylacetamide is sourced from PubChem (CID 81296450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).