2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide

C16H25IN4O3S — CID 16597807

IUPAC2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(I)cc2)CC1
InChIInChI=1S/C16H25IN4O3S/c1-3-20(4-2)25(23,24)21-11-9-19(10-12-21)13-16(22)18-15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,18,22)
InChIKeyRTHCCUQWQOFHDH-UHFFFAOYSA-N
MW480.37 g/mol
LogP1.43
Rot. Bonds7

About 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide (PubChem CID 16597807) has the molecular formula C16H25IN4O3S and a molecular weight of 480.37 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide
PubChem CID16597807
Molecular FormulaC16H25IN4O3S
Molecular Weight480.37 g/mol
Exact Mass480.07
IUPAC Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(I)cc2)CC1
InChIInChI=1S/C16H25IN4O3S/c1-3-20(4-2)25(23,24)21-11-9-19(10-12-21)13-16(22)18-15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,18,22)
InChIKeyRTHCCUQWQOFHDH-UHFFFAOYSA-N
XLogP1.43
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide
CID 55498988
N-(4-tert-butylphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 16597788
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16597798
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 16597782
N-(3-chlorophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 17426375
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 43039531
2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16597959
N-(4-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 1095013
N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 16597958
2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 47017445
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide (CID 16597807) is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide is CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(I)cc2)CC1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide?
The InChIKey is RTHCCUQWQOFHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN4O3S/c1-3-20(4-2)25(23,24)21-11-9-19(10-12-21)13-16(22)18-15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,18,22).
What are the key properties of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide?
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide has a molecular weight of 480.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 16597807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).