2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide

C15H17BrN2OS — CID 16931182

IUPAC2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccccc1Br)c1ccsc1
InChIInChI=1S/C15H17BrN2OS/c1-18(2)14(11-7-8-20-10-11)9-17-15(19)12-5-3-4-6-13(12)16/h3-8,10,14H,9H2,1-2H3,(H,17,19)
InChIKeyRLTWOAUSZUVMSH-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.54
Rot. Bonds5

About 2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide

2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide (PubChem CID 16931182) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
PubChem CID16931182
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccccc1Br)c1ccsc1
InChIInChI=1S/C15H17BrN2OS/c1-18(2)14(11-7-8-20-10-11)9-17-15(19)12-5-3-4-6-13(12)16/h3-8,10,14H,9H2,1-2H3,(H,17,19)
InChIKeyRLTWOAUSZUVMSH-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide
CID 30856572
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylsulfonylbenzamide
CID 33090690
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
5-bromo-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-hydroxybenzamide
CID 32631312
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
CID 42953753
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 112503708
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 33089744
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-3-nitrobenzamide
CID 42548875
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide (CID 16931182) is 2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide is CN(C)C(CNC(=O)c1ccccc1Br)c1ccsc1.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide?
The InChIKey is RLTWOAUSZUVMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-18(2)14(11-7-8-20-10-11)9-17-15(19)12-5-3-4-6-13(12)16/h3-8,10,14H,9H2,1-2H3,(H,17,19).
What are the key properties of 2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide?
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide has a molecular weight of 353.29 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 16931182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).