N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide

C21H25N3O4S — CID 16863835

IUPACN-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C21H25N3O4S/c1-21(2)20(26)22-13-14-24(21)19(25)17-9-11-18(12-10-17)29(27,28)23(3)15-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,22,26)
InChIKeyIMIFEXXADRCSFP-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.86
Rot. Bonds5

About N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide

N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide (PubChem CID 16863835) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide
PubChem CID16863835
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C21H25N3O4S/c1-21(2)20(26)22-13-14-24(21)19(25)17-9-11-18(12-10-17)29(27,28)23(3)15-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,22,26)
InChIKeyIMIFEXXADRCSFP-UHFFFAOYSA-N
XLogP1.86
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenesulfonamide
CID 16863833
4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
CID 63606700
N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
4-(4-butylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63606357
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
4-[6-(dimethylamino)pyridine-3-carbonyl]-3,3-dimethylpiperazin-2-one
CID 63362373
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
4-[4-(benzenesulfonyl)butanoyl]-3,3-dimethylpiperazin-2-one
CID 16863880
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide (CID 16863835) is N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1.
What is the InChIKey of N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
The InChIKey is IMIFEXXADRCSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-21(2)20(26)22-13-14-24(21)19(25)17-9-11-18(12-10-17)29(27,28)23(3)15-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,22,26).
What are the key properties of N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide?
N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 16863835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).