2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide

C22H29N3O3S — CID 50788654

IUPAC2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCNCC2)c(C)c1
InChIInChI=1S/C22H29N3O3S/c1-18-8-9-21(19(2)16-18)29(27,28)25(13-10-20-6-4-3-5-7-20)17-22(26)24-14-11-23-12-15-24/h3-9,16,23H,10-15,17H2,1-2H3
InChIKeyQCBQGTVTNZYNHX-UHFFFAOYSA-N
MW415.56 g/mol
LogP1.97
Rot. Bonds7

About 2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide

2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 50788654) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID50788654
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCNCC2)c(C)c1
InChIInChI=1S/C22H29N3O3S/c1-18-8-9-21(19(2)16-18)29(27,28)25(13-10-20-6-4-3-5-7-20)17-22(26)24-14-11-23-12-15-24/h3-9,16,23H,10-15,17H2,1-2H3
InChIKeyQCBQGTVTNZYNHX-UHFFFAOYSA-N
XLogP1.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934409
N-(3-methoxypropyl)-2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788423
N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934319
2,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-propylbenzenesulfonamide
CID 50788516
N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058640
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 1208474
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 94078466
N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934432
2,4,6-trimethyl-N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788395
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788465
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 21373112
2,4,6-trimethyl-N-[2-oxo-2-[4-(3,4,5-trichlorophenyl)piperazin-1-yl]ethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 166345157

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide (CID 50788654) is 2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCNCC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is QCBQGTVTNZYNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-18-8-9-21(19(2)16-18)29(27,28)25(13-10-20-6-4-3-5-7-20)17-22(26)24-14-11-23-12-15-24/h3-9,16,23H,10-15,17H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide?
2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 415.56 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 50788654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).