N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C24H34N4O3S — CID 55660302

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCCN1CCN(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C24H34N4O3S/c1-4-27-16-18-28(19-17-27)15-5-14-25-24(29)21-8-10-22(11-9-21)26(3)32(30,31)23-12-6-20(2)7-13-23/h6-13H,4-5,14-19H2,1-3H3,(H,25,29)
InChIKeyNQXBFNBWVZQLLF-UHFFFAOYSA-N
MW458.63 g/mol
LogP2.58
Rot. Bonds9

About N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 55660302) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID55660302
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCCN1CCN(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C24H34N4O3S/c1-4-27-16-18-28(19-17-27)15-5-14-25-24(29)21-8-10-22(11-9-21)26(3)32(30,31)23-12-6-20(2)7-13-23/h6-13H,4-5,14-19H2,1-3H3,(H,25,29)
InChIKeyNQXBFNBWVZQLLF-UHFFFAOYSA-N
XLogP2.58
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-(ethylsulfamoyl)benzamide
CID 55660382
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53279690
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119498678
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
5-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 46345791
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 46475822
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 55660302) is N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is CCN1CCN(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is NQXBFNBWVZQLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S/c1-4-27-16-18-28(19-17-27)15-5-14-25-24(29)21-8-10-22(11-9-21)26(3)32(30,31)23-12-6-20(2)7-13-23/h6-13H,4-5,14-19H2,1-3H3,(H,25,29).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 458.63 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55660302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).