N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride

C23H29ClN4O3S — CID 6602839

IUPACN-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)c1C.Cl
InChIInChI=1S/C23H28N4O3S.ClH/c1-16-14-17(2)19(4)22(18(16)3)31(29,30)26-21-9-6-5-8-20(21)23(28)25-10-7-12-27-13-11-24-15-27;/h5-6,8-9,11,13-15,26H,7,10,12H2,1-4H3,(H,25,28);1H
InChIKeyQPVGYPNSOBACPN-UHFFFAOYSA-N
MW477.03 g/mol
LogP4.16
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride

N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride (PubChem CID 6602839) has the molecular formula C23H29ClN4O3S and a molecular weight of 477.03 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride
PubChem CID6602839
Molecular FormulaC23H29ClN4O3S
Molecular Weight477.03 g/mol
Exact Mass476.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)c1C.Cl
InChIInChI=1S/C23H28N4O3S.ClH/c1-16-14-17(2)19(4)22(18(16)3)31(29,30)26-21-9-6-5-8-20(21)23(28)25-10-7-12-27-13-11-24-15-27;/h5-6,8-9,11,13-15,26H,7,10,12H2,1-4H3,(H,25,28);1H
InChIKeyQPVGYPNSOBACPN-UHFFFAOYSA-N
XLogP4.16
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.03
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)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-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride (CID 6602839) is N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)c1C.Cl.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride?
The InChIKey is QPVGYPNSOBACPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S.ClH/c1-16-14-17(2)19(4)22(18(16)3)31(29,30)26-21-9-6-5-8-20(21)23(28)25-10-7-12-27-13-11-24-15-27;/h5-6,8-9,11,13-15,26H,7,10,12H2,1-4H3,(H,25,28);1H.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride?
N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride has a molecular weight of 477.03 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;hydrochloride is sourced from PubChem (CID 6602839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).