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

C22H30N4O3S — CID 55498988

IUPAC2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H30N4O3S/c1-3-25(4-2)30(28,29)26-16-14-24(15-17-26)18-22(27)23-21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3,(H,23,27)
InChIKeyQWALEHAZJMDMSE-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.50
Rot. Bonds8

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

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide (PubChem CID 55498988) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide
PubChem CID55498988
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H30N4O3S/c1-3-25(4-2)30(28,29)26-16-14-24(15-17-26)18-22(27)23-21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3,(H,23,27)
InChIKeyQWALEHAZJMDMSE-UHFFFAOYSA-N
XLogP2.50
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide
CID 16597807
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16597798
N-(4-tert-butylphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 16597788
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-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 17428462
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
4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide
CID 55498911
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide (CID 55498988) is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide is CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide?
The InChIKey is QWALEHAZJMDMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-3-25(4-2)30(28,29)26-16-14-24(15-17-26)18-22(27)23-21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-13H,3-4,14-18H2,1-2H3,(H,23,27).
What are the key properties of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide?
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide has a molecular weight of 430.57 g/mol, XLogP of 2.50, 8 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-phenylphenyl)acetamide is sourced from PubChem (CID 55498988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).