N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C20H34N4O3S — CID 55656712

IUPACN-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C20H34N4O3S/c1-17(2)23(4)28(26,27)19-9-7-18(8-10-19)20(25)21-11-5-6-12-24-15-13-22(3)14-16-24/h7-10,17H,5-6,11-16H2,1-4H3,(H,21,25)
InChIKeyOGRCLAIPHIKFCL-UHFFFAOYSA-N
MW410.58 g/mol
LogP1.47
Rot. Bonds9

About N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 55656712) has the molecular formula C20H34N4O3S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID55656712
Molecular FormulaC20H34N4O3S
Molecular Weight410.58 g/mol
Exact Mass410.24
IUPAC NameN-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C20H34N4O3S/c1-17(2)23(4)28(26,27)19-9-7-18(8-10-19)20(25)21-11-5-6-12-24-15-13-22(3)14-16-24/h7-10,17H,5-6,11-16H2,1-4H3,(H,21,25)
InChIKeyOGRCLAIPHIKFCL-UHFFFAOYSA-N
XLogP1.47
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 51.47
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
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33076936
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656660
N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297875
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55660302
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
N-[2-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119621364
N-[2-(2-methoxyethoxy)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55685287
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656593

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 55656712) is N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is OGRCLAIPHIKFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3S/c1-17(2)23(4)28(26,27)19-9-7-18(8-10-19)20(25)21-11-5-6-12-24-15-13-22(3)14-16-24/h7-10,17H,5-6,11-16H2,1-4H3,(H,21,25).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 410.58 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 55656712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).