2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide

C11H17BrN2OS — CID 115152784

IUPAC2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide
SMILESCN(CCc1ccc(Br)s1)C(=O)C(C)(C)N
InChIInChI=1S/C11H17BrN2OS/c1-11(2,13)10(15)14(3)7-6-8-4-5-9(12)16-8/h4-5H,6-7,13H2,1-3H3
InChIKeyFDPZCBHGCXEMDU-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide

2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide (PubChem CID 115152784) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide
PubChem CID115152784
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide
SMILESCN(CCc1ccc(Br)s1)C(=O)C(C)(C)N
InChIInChI=1S/C11H17BrN2OS/c1-11(2,13)10(15)14(3)7-6-8-4-5-9(12)16-8/h4-5H,6-7,13H2,1-3H3
InChIKeyFDPZCBHGCXEMDU-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2,2-trimethylpropanamide
CID 115154760
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide
CID 115140158
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 115154691
methyl 3-[2-(5-bromothiophen-2-yl)ethyl-methylamino]-2,2-dimethylpropanoate
CID 115233714
N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197440
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183388
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 61265834
methyl 4-[2-(5-bromothiophen-2-yl)ethyl-methylamino]butanoate
CID 115233515
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride
CID 115618450
4-amino-1-(5-bromothiophen-2-yl)-3,3,4-trimethylpentan-2-one
CID 116573509

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide (CID 115152784) is 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide is CN(CCc1ccc(Br)s1)C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide?
The InChIKey is FDPZCBHGCXEMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-11(2,13)10(15)14(3)7-6-8-4-5-9(12)16-8/h4-5H,6-7,13H2,1-3H3.
What are the key properties of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide?
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide has a molecular weight of 305.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 115152784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).