N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride

C15H18BrClN2O2S — CID 119384657

IUPACN-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCN)cc1OCc1csc(Br)c1.Cl
InChIInChI=1S/C15H17BrN2O2S.ClH/c1-10-2-3-12(15(19)18-5-4-17)7-13(10)20-8-11-6-14(16)21-9-11;/h2-3,6-7,9H,4-5,8,17H2,1H3,(H,18,19);1H
InChIKeyXGARPHZPVTXJOA-UHFFFAOYSA-N
MW405.75 g/mol
LogP3.51
Rot. Bonds6

About N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride

N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride (PubChem CID 119384657) has the molecular formula C15H18BrClN2O2S and a molecular weight of 405.75 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride
PubChem CID119384657
Molecular FormulaC15H18BrClN2O2S
Molecular Weight405.75 g/mol
Exact Mass404.00
IUPAC NameN-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCN)cc1OCc1csc(Br)c1.Cl
InChIInChI=1S/C15H17BrN2O2S.ClH/c1-10-2-3-12(15(19)18-5-4-17)7-13(10)20-8-11-6-14(16)21-9-11;/h2-3,6-7,9H,4-5,8,17H2,1H3,(H,18,19);1H
InChIKeyXGARPHZPVTXJOA-UHFFFAOYSA-N
XLogP3.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.75
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride (CID 119384657) is N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NCCN)cc1OCc1csc(Br)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride?
The InChIKey is XGARPHZPVTXJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S.ClH/c1-10-2-3-12(15(19)18-5-4-17)7-13(10)20-8-11-6-14(16)21-9-11;/h2-3,6-7,9H,4-5,8,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride?
N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride has a molecular weight of 405.75 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[(5-bromothiophen-3-yl)methoxy]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119384657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).