2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide

C11H17BrN2OS — CID 47272120

IUPAC2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNCc1csc(Br)c1
InChIInChI=1S/C11H17BrN2OS/c1-11(2,3)14-10(15)6-13-5-8-4-9(12)16-7-8/h4,7,13H,5-6H2,1-3H3,(H,14,15)
InChIKeyAERIZHIKJHEYCM-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.51
Rot. Bonds4

About 2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide

2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide (PubChem CID 47272120) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide
PubChem CID47272120
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNCc1csc(Br)c1
InChIInChI=1S/C11H17BrN2OS/c1-11(2,3)14-10(15)6-13-5-8-4-9(12)16-7-8/h4,7,13H,5-6H2,1-3H3,(H,14,15)
InChIKeyAERIZHIKJHEYCM-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide
CID 43612157
4-acetyl-N-[(5-bromothiophen-3-yl)methyl]piperazine-1-carboxamide
CID 53512252
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
CID 60739920
N1-propyl-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868744
N-ethyl-N'-[(thiophen-3-yl)methyl]ethanediamide
CID 25868866
N1-isopropyl-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868868
N1-(tert-butyl)-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868870
3-(2-amino-2-oxoethyl)sulfanyl-N-[(5-bromothiophen-3-yl)methyl]propanamide
CID 38638540
5-Bromo-N-methyl-N-(2-(methylamino)-2-oxoethyl)thiophene-3-carboxamide
CID 43424491
2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 45796121
N-[(5-bromothiophen-3-yl)methyl]-2-(carbamoylamino)-3-methylbutanamide
CID 45823088
2-[4-[(5-bromothiophen-3-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 51079531

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide (CID 47272120) is 2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNCc1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide?
The InChIKey is AERIZHIKJHEYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-11(2,3)14-10(15)6-13-5-8-4-9(12)16-7-8/h4,7,13H,5-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide?
2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide has a molecular weight of 305.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 47272120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).