N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride

C19H21ClN2O3S — CID 6603526

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C19H20N2O3S.ClH/c22-19(17-12-14-4-1-2-5-16(14)24-17)20-13-15(18-6-3-11-25-18)21-7-9-23-10-8-21;/h1-6,11-12,15H,7-10,13H2,(H,20,22);1H
InChIKeyBIQMKZJYURAPQP-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.72
Rot. Bonds5

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 6603526) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID6603526
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C19H20N2O3S.ClH/c22-19(17-12-14-4-1-2-5-16(14)24-17)20-13-15(18-6-3-11-25-18)21-7-9-23-10-8-21;/h1-6,11-12,15H,7-10,13H2,(H,20,22);1H
InChIKeyBIQMKZJYURAPQP-UHFFFAOYSA-N
XLogP3.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (CID 6603526) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is Cl.O=C(NCC(c1cccs1)N1CCOCC1)c1cc2ccccc2o1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is BIQMKZJYURAPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S.ClH/c22-19(17-12-14-4-1-2-5-16(14)24-17)20-13-15(18-6-3-11-25-18)21-7-9-23-10-8-21;/h1-6,11-12,15H,7-10,13H2,(H,20,22);1H.
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 392.91 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 6603526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).