N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide

C16H18Br2N2OS — CID 166218784

IUPACN-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide
SMILESCN(C)C(C(=O)NCCc1ccc(Br)cc1)c1cc(Br)cs1
InChIInChI=1S/C16H18Br2N2OS/c1-20(2)15(14-9-13(18)10-22-14)16(21)19-8-7-11-3-5-12(17)6-4-11/h3-6,9-10,15H,7-8H2,1-2H3,(H,19,21)
InChIKeyLZZLQGBLOOIKBG-UHFFFAOYSA-N
MW446.21 g/mol
LogP4.23
Rot. Bonds6

About N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide

N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide (PubChem CID 166218784) has the molecular formula C16H18Br2N2OS and a molecular weight of 446.21 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide
PubChem CID166218784
Molecular FormulaC16H18Br2N2OS
Molecular Weight446.21 g/mol
Exact Mass443.95
IUPAC NameN-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide
SMILESCN(C)C(C(=O)NCCc1ccc(Br)cc1)c1cc(Br)cs1
InChIInChI=1S/C16H18Br2N2OS/c1-20(2)15(14-9-13(18)10-22-14)16(21)19-8-7-11-3-5-12(17)6-4-11/h3-6,9-10,15H,7-8H2,1-2H3,(H,19,21)
InChIKeyLZZLQGBLOOIKBG-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-bromothiophen-2-yl)-2-(dimethylamino)-N-(3-ethoxypropyl)acetamide
CID 125419034
2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid
CID 54595909
ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate
CID 116914263
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387
N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 4271588
N-[2-(4-bromophenyl)ethyl]-3-oxobutanamide
CID 115176509
N-[2-(4-bromophenyl)ethyl]-2-cyanobutanamide
CID 115188383
methyl 2-[2-(4-bromophenyl)ethylcarbamoyl]butanoate
CID 115187958
1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 72890893
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide (CID 166218784) is N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide is CN(C)C(C(=O)NCCc1ccc(Br)cc1)c1cc(Br)cs1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide?
The InChIKey is LZZLQGBLOOIKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2OS/c1-20(2)15(14-9-13(18)10-22-14)16(21)19-8-7-11-3-5-12(17)6-4-11/h3-6,9-10,15H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide?
N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide has a molecular weight of 446.21 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 166218784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).