N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride

C23H25ClN4O6S2 — CID 12006264

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H24N4O6S2.ClH/c28-23(24-16-21(22-9-4-14-34-22)26-10-12-33-13-11-26)19-7-1-2-8-20(19)25-35(31,32)18-6-3-5-17(15-18)27(29)30;/h1-9,14-15,21,25H,10-13,16H2,(H,24,28);1H
InChIKeyUVHAPXAYXAWQJV-UHFFFAOYSA-N
MW553.06 g/mol
LogP3.68
Rot. Bonds9

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride (PubChem CID 12006264) has the molecular formula C23H25ClN4O6S2 and a molecular weight of 553.06 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride
PubChem CID12006264
Molecular FormulaC23H25ClN4O6S2
Molecular Weight553.06 g/mol
Exact Mass552.09
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H24N4O6S2.ClH/c28-23(24-16-21(22-9-4-14-34-22)26-10-12-33-13-11-26)19-7-1-2-8-20(19)25-35(31,32)18-6-3-5-17(15-18)27(29)30;/h1-9,14-15,21,25H,10-13,16H2,(H,24,28);1H
InChIKeyUVHAPXAYXAWQJV-UHFFFAOYSA-N
XLogP3.68
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.06
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]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

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride (CID 12006264) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride is Cl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride?
The InChIKey is UVHAPXAYXAWQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6S2.ClH/c28-23(24-16-21(22-9-4-14-34-22)26-10-12-33-13-11-26)19-7-1-2-8-20(19)25-35(31,32)18-6-3-5-17(15-18)27(29)30;/h1-9,14-15,21,25H,10-13,16H2,(H,24,28);1H.
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride has a molecular weight of 553.06 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide;hydrochloride is sourced from PubChem (CID 12006264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).