2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide

C22H29N3O3S — CID 3619774

IUPAC2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(C)c3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O3S/c1-17-9-10-18(2)21(15-17)29(27,28)25-13-11-24(12-14-25)16-22(26)23-19(3)20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyAEHFWPASJDVQSK-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.49
Rot. Bonds6

About 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide

2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 3619774) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID3619774
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(C)c3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O3S/c1-17-9-10-18(2)21(15-17)29(27,28)25-13-11-24(12-14-25)16-22(26)23-19(3)20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyAEHFWPASJDVQSK-UHFFFAOYSA-N
XLogP2.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid 4-methyl-benzylamide
CID 3219590
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide
CID 2252317
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
N-[(2S)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 16242636
N~2~-benzyl-N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 2301453
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4794396
N-((4-(1-Methylethyl)phenyl)methyl)-1-(phenylsulfonyl)-2-pyrrolidinecarboxamide
CID 610804
2-[benzenesulfonyl(benzyl)amino]-N-methylacetamide
CID 795181
N-cyclohexyl-4-methyl-3-(piperidine-1-sulfonyl)benzamide
CID 1068516
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 1815035
N~2~-methyl-N-(2-phenylethyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2188522
N~2~-(2-fluorobenzyl)-N~2~-[(4-methylphenyl)sulfonyl]-N~1~-propylglycinamide
CID 2188946

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide (CID 3619774) is 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide is Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(C)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is AEHFWPASJDVQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17-9-10-18(2)21(15-17)29(27,28)25-13-11-24(12-14-25)16-22(26)23-19(3)20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide?
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 415.56 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3619774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).