4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide

C18H30N4O3S — CID 119394399

IUPAC4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C18H30N4O3S/c1-15(2)21(3)26(24,25)17-7-5-16(6-8-17)18(23)20-9-4-12-22-13-10-19-11-14-22/h5-8,15,19H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyUUTSNMRLQDDSQC-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.74
Rot. Bonds8

About 4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide

4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119394399) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119394399
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C18H30N4O3S/c1-15(2)21(3)26(24,25)17-7-5-16(6-8-17)18(23)20-9-4-12-22-13-10-19-11-14-22/h5-8,15,19H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyUUTSNMRLQDDSQC-UHFFFAOYSA-N
XLogP0.74
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33076936
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119448151
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297875
6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 119392462
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide (CID 119394399) is 4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCNCC2)cc1.
What is the InChIKey of 4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is UUTSNMRLQDDSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-15(2)21(3)26(24,25)17-7-5-16(6-8-17)18(23)20-9-4-12-22-13-10-19-11-14-22/h5-8,15,19H,4,9-14H2,1-3H3,(H,20,23).
What are the key properties of 4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide?
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 382.53 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119394399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).