4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide

C18H28N4O4S — CID 110429162

IUPAC4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N4O4S/c1-4-22(5-2)27(25,26)16-8-6-15(7-9-16)18(24)19-14-17(23)21-12-10-20(3)11-13-21/h6-9H,4-5,10-14H2,1-3H3,(H,19,24)
InChIKeyHEYJFANBWMIDEI-UHFFFAOYSA-N
MW396.51 g/mol
LogP0.22
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide

4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide (PubChem CID 110429162) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
PubChem CID110429162
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N4O4S/c1-4-22(5-2)27(25,26)16-8-6-15(7-9-16)18(24)19-14-17(23)21-12-10-20(3)11-13-21/h6-9H,4-5,10-14H2,1-3H3,(H,19,24)
InChIKeyHEYJFANBWMIDEI-UHFFFAOYSA-N
XLogP0.22
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424
4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 112991821
ethanol;N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methylsulfonylphenyl)benzamide;propane-1,2-diol
CID 145138999
4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112990991
4-bromo-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 6459628
4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064828
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304122
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
CID 119414247
N,N-diethyl-4-[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]benzenesulfonamide
CID 30538950
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide (CID 110429162) is 4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is HEYJFANBWMIDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-4-22(5-2)27(25,26)16-8-6-15(7-9-16)18(24)19-14-17(23)21-12-10-20(3)11-13-21/h6-9H,4-5,10-14H2,1-3H3,(H,19,24).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 396.51 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 110429162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).