4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride

C17H20BrClN2O2S — CID 52984970

IUPAC4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2S.ClH/c18-14-5-3-13(4-6-14)17(21)19-12-15(16-2-1-11-23-16)20-7-9-22-10-8-20;/h1-6,11,15H,7-10,12H2,(H,19,21);1H
InChIKeyNLVISTNRFGFDSV-UHFFFAOYSA-N
MW431.78 g/mol
LogP3.74
Rot. Bonds5

About 4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride

4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride (PubChem CID 52984970) has the molecular formula C17H20BrClN2O2S and a molecular weight of 431.78 g/mol. Its IUPAC name is 4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
PubChem CID52984970
Molecular FormulaC17H20BrClN2O2S
Molecular Weight431.78 g/mol
Exact Mass430.01
IUPAC Name4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2S.ClH/c18-14-5-3-13(4-6-14)17(21)19-12-15(16-2-1-11-23-16)20-7-9-22-10-8-20;/h1-6,11,15H,7-10,12H2,(H,19,21);1H
InChIKeyNLVISTNRFGFDSV-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride 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

4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 17405365
5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 37099503
6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 31334942
6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17405220
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-phenylmethoxybenzamide
CID 2510532
3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984959
4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 31404253
4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834490

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride (CID 52984970) is 4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride is Cl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The InChIKey is NLVISTNRFGFDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2S.ClH/c18-14-5-3-13(4-6-14)17(21)19-12-15(16-2-1-11-23-16)20-7-9-22-10-8-20;/h1-6,11,15H,7-10,12H2,(H,19,21);1H.
What are the key properties of 4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride has a molecular weight of 431.78 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 52984970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).