2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide

C23H32N4O3S — CID 16597867

IUPAC2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H32N4O3S/c1-4-26(5-2)31(29,30)27-17-15-25(16-18-27)22(20-9-7-6-8-10-20)23(28)24-21-13-11-19(3)12-14-21/h6-14,22H,4-5,15-18H2,1-3H3,(H,24,28)
InChIKeyYNYYQJWGEUBTRA-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.88
Rot. Bonds8

About 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide (PubChem CID 16597867) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
PubChem CID16597867
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H32N4O3S/c1-4-26(5-2)31(29,30)27-17-15-25(16-18-27)22(20-9-7-6-8-10-20)23(28)24-21-13-11-19(3)12-14-21/h6-14,22H,4-5,15-18H2,1-3H3,(H,24,28)
InChIKeyYNYYQJWGEUBTRA-UHFFFAOYSA-N
XLogP2.88
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-phenylpropanamide
CID 16597890
N-(4-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 71903463
(2S)-N-(4-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 2655908
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide
CID 55498988
N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 17459059
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide
CID 86886985
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 17428462
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55498702
(2S)-N-(4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30735407
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 9398852
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135581

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide (CID 16597867) is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide is CCN(CC)S(=O)(=O)N1CCN(C(C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is YNYYQJWGEUBTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-4-26(5-2)31(29,30)27-17-15-25(16-18-27)22(20-9-7-6-8-10-20)23(28)24-21-13-11-19(3)12-14-21/h6-14,22H,4-5,15-18H2,1-3H3,(H,24,28).
What are the key properties of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide?
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 444.60 g/mol, XLogP of 2.88, 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-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 16597867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).