2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide

C14H15BrN2OS — CID 115286812

IUPAC2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(Cc1cccc(Br)c1)C(=O)C(N)c1cccs1
InChIInChI=1S/C14H15BrN2OS/c1-17(9-10-4-2-5-11(15)8-10)14(18)13(16)12-6-3-7-19-12/h2-8,13H,9,16H2,1H3
InChIKeyPCRDCRGLKFOBOH-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.17
Rot. Bonds4

About 2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide

2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 115286812) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID115286812
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(Cc1cccc(Br)c1)C(=O)C(N)c1cccs1
InChIInChI=1S/C14H15BrN2OS/c1-17(9-10-4-2-5-11(15)8-10)14(18)13(16)12-6-3-7-19-12/h2-8,13H,9,16H2,1H3
InChIKeyPCRDCRGLKFOBOH-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide
CID 115286632
2-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286743
2-amino-N-[(4-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286090
2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
CID 115286833
2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287286
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 115287084
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287016
2-amino-N-methyl-N-[2-(methylamino)ethyl]-2-thiophen-2-ylacetamide
CID 115287330
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786847
2-amino-N-methyl-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115285914
2-amino-N-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79804996
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 105417448

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide (CID 115286812) is 2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide is CN(Cc1cccc(Br)c1)C(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is PCRDCRGLKFOBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-17(9-10-4-2-5-11(15)8-10)14(18)13(16)12-6-3-7-19-12/h2-8,13H,9,16H2,1H3.
What are the key properties of 2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide?
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 339.26 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).