2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide

C17H27N3O3S — CID 8554158

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-14(2)15(3)18-17(21)13-19-9-11-20(12-10-19)24(22,23)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyQNLWEEMDEMNTPR-OAHLLOKOSA-N
MW353.49 g/mol
LogP1.15
Rot. Bonds6

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 8554158) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID8554158
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-14(2)15(3)18-17(21)13-19-9-11-20(12-10-19)24(22,23)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyQNLWEEMDEMNTPR-OAHLLOKOSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8678550
N-[(2R)-3-methylbutan-2-yl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 8553864
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100565556
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8553828
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8743522
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 17458832
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 6466721
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8553724
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46560063
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 27635375
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 8554158) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is QNLWEEMDEMNTPR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14(2)15(3)18-17(21)13-19-9-11-20(12-10-19)24(22,23)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 353.49 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 8554158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).