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

C15H17BrN2OS — CID 8504392

IUPAC2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccccc1Br)c1cccs1
InChIInChI=1S/C15H17BrN2OS/c1-18(2)13(14-8-5-9-20-14)10-17-15(19)11-6-3-4-7-12(11)16/h3-9,13H,10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyURPVBYUMAJLQTJ-ZDUSSCGKSA-N
MW353.29 g/mol
LogP3.54
Rot. Bonds5

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

2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (PubChem CID 8504392) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
PubChem CID8504392
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccccc1Br)c1cccs1
InChIInChI=1S/C15H17BrN2OS/c1-18(2)13(14-8-5-9-20-14)10-17-15(19)11-6-3-4-7-12(11)16/h3-9,13H,10H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyURPVBYUMAJLQTJ-ZDUSSCGKSA-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-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide
CID 78772713
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylfuran-3-carboxamide
CID 35058132
3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide
CID 55713696
2-(2-cyanophenyl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 9118288
2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 112503708
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-2-nitrobenzamide
CID 18161703

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (CID 8504392) is 2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide is CN(C)[C@@H](CNC(=O)c1ccccc1Br)c1cccs1.
What is the InChIKey of 2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is URPVBYUMAJLQTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-18(2)13(14-8-5-9-20-14)10-17-15(19)11-6-3-4-7-12(11)16/h3-9,13H,10H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-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-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 8504392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).