4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide

C16H22N4O5S — CID 112991821

IUPAC4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C16H22N4O5S/c1-18(2)26(24,25)14-5-3-13(4-6-14)16(23)17-11-15(22)20-9-7-19(12-21)8-10-20/h3-6,12H,7-11H2,1-2H3,(H,17,23)
InChIKeyJUCXZFIVYCGJDD-UHFFFAOYSA-N
MW382.44 g/mol
LogP-1.03
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide

4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide (PubChem CID 112991821) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide
PubChem CID112991821
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC Name4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C16H22N4O5S/c1-18(2)26(24,25)14-5-3-13(4-6-14)16(23)17-11-15(22)20-9-7-19(12-21)8-10-20/h3-6,12H,7-11H2,1-2H3,(H,17,23)
InChIKeyJUCXZFIVYCGJDD-UHFFFAOYSA-N
XLogP-1.03
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112990991
4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110429162
N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide
CID 112991865
2-bromo-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 112991795
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
N-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 4788124
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide (CID 112991821) is 4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C=O)CC2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is JUCXZFIVYCGJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S/c1-18(2)26(24,25)14-5-3-13(4-6-14)16(23)17-11-15(22)20-9-7-19(12-21)8-10-20/h3-6,12H,7-11H2,1-2H3,(H,17,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 382.44 g/mol, XLogP of -1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 112991821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).