N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide

C13H21BrN2OS — CID 79996289

IUPACN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H21BrN2OS/c1-5-16(8-13(3,4)7-15)12(17)10-6-9(2)11(14)18-10/h6H,5,7-8,15H2,1-4H3
InChIKeyLSDWWAWBZPHQAV-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.27
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 79996289) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide
PubChem CID79996289
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H21BrN2OS/c1-5-16(8-13(3,4)7-15)12(17)10-6-9(2)11(14)18-10/h6H,5,7-8,15H2,1-4H3
InChIKeyLSDWWAWBZPHQAV-UHFFFAOYSA-N
XLogP3.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,5-dimethylthiophene-2-carboxamide
CID 79386844
5-bromo-N,N-diethyl-4-sulfamoylthiophene-2-carboxamide
CID 167975051
5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide
CID 79996781
N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide
CID 79990343
N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
CID 107940082
2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone
CID 79997206
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
CID 79384871
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271
N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 79668480
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
CID 115364639

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide (CID 79996289) is N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide is CCN(CC(C)(C)CN)C(=O)c1cc(C)c(Br)s1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is LSDWWAWBZPHQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-5-16(8-13(3,4)7-15)12(17)10-6-9(2)11(14)18-10/h6H,5,7-8,15H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 333.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79996289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).