2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide

C23H31N3O3S — CID 9443469

IUPAC2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-23(2,3)20-9-11-21(12-10-20)24-22(27)17-25-13-15-26(16-14-25)30(28,29)18-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,24,27)
InChIKeyCXMGVHWUYDYUQJ-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.07
Rot. Bonds6

About 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide

2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide (PubChem CID 9443469) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide
PubChem CID9443469
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-23(2,3)20-9-11-21(12-10-20)24-22(27)17-25-13-15-26(16-14-25)30(28,29)18-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,24,27)
InChIKeyCXMGVHWUYDYUQJ-UHFFFAOYSA-N
XLogP3.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)acetamide
CID 17486617
N-(4-tert-butylphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 16597788
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 17487617
2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9443334
N-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 82342704
4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-N-phenylbenzamide
CID 38817450
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9443779
1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906651
2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 26552718
methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742171
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide
CID 55498988
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide (CID 9443469) is 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide is CC(C)(C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide?
The InChIKey is CXMGVHWUYDYUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-23(2,3)20-9-11-21(12-10-20)24-22(27)17-25-13-15-26(16-14-25)30(28,29)18-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,24,27).
What are the key properties of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide?
2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide has a molecular weight of 429.59 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 9443469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).