N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide

C13H19BrN2OS — CID 115158596

IUPACN-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide
SMILESCC(C)(CNC(=O)CNC1CC1)c1ccc(Br)s1
InChIInChI=1S/C13H19BrN2OS/c1-13(2,10-5-6-11(14)18-10)8-16-12(17)7-15-9-3-4-9/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyGXHJNYMXDVBRGF-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide

N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide (PubChem CID 115158596) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide
PubChem CID115158596
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC NameN-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide
SMILESCC(C)(CNC(=O)CNC1CC1)c1ccc(Br)s1
InChIInChI=1S/C13H19BrN2OS/c1-13(2,10-5-6-11(14)18-10)8-16-12(17)7-15-9-3-4-9/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyGXHJNYMXDVBRGF-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 106048063
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235198
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114140444
N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 115190381
N1-(tert-butyl)-N2-((1-(thiophen-2-yl)cyclopropyl)methyl)oxalamide
CID 30526037
N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939429
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(5-bromothiophen-2-yl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
CID 58024188
(2S)-2-[[(2S)-2-[[(2S)-3-(5-bromothiophen-2-yl)-2-(methylamino)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
CID 70948823
N-[2-(4-bromothiophen-2-yl)cyclopropyl]-3,3-dimethylbutanamide
CID 122651627
(2S)-2-[2-(2-aminoethylamino)propanoylamino]-N-ethyl-3-methylbutanamide;2-bromo-5-ethylthiophene
CID 143299777
2-(5-bromothiophen-2-yl)-N-cyclopropylpropanamide
CID 178131039
(E)-3-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-enamide
CID 8137427

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide (CID 115158596) is N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide is CC(C)(CNC(=O)CNC1CC1)c1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide?
The InChIKey is GXHJNYMXDVBRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-13(2,10-5-6-11(14)18-10)8-16-12(17)7-15-9-3-4-9/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide?
N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide has a molecular weight of 331.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 115158596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).