5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide

C12H19BrN2OS — CID 60628788

IUPAC5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2OS/c1-12(2,8-15(3)4)7-14-11(16)9-5-6-10(13)17-9/h5-6H,7-8H2,1-4H3,(H,14,16)
InChIKeyGEPBSDGIDBDKPO-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.83
Rot. Bonds5

About 5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide

5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide (PubChem CID 60628788) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide
PubChem CID60628788
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2OS/c1-12(2,8-15(3)4)7-14-11(16)9-5-6-10(13)17-9/h5-6H,7-8H2,1-4H3,(H,14,16)
InChIKeyGEPBSDGIDBDKPO-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide
CID 10339400
N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119642989
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619126
N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide
CID 115364549
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dihydroxybenzamide
CID 103893143
1-(5-bromothiophen-2-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55332211
3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide
CID 60682140
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
5-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylthiophene-2-carboxamide
CID 79976618

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide (CID 60628788) is 5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide is CN(C)CC(C)(C)CNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide?
The InChIKey is GEPBSDGIDBDKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-12(2,8-15(3)4)7-14-11(16)9-5-6-10(13)17-9/h5-6H,7-8H2,1-4H3,(H,14,16).
What are the key properties of 5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide?
5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide has a molecular weight of 319.27 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 60628788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).