2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide

C17H24N4O3S — CID 8692613

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(C)(C)C#N
InChIInChI=1S/C17H24N4O3S/c1-17(2,14-18)19(3)16(22)13-20-9-11-21(12-10-20)25(23,24)15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3
InChIKeyHUSPZVCLXLNCNX-UHFFFAOYSA-N
MW364.47 g/mol
LogP0.75
Rot. Bonds5

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide (PubChem CID 8692613) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide
PubChem CID8692613
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(C)(C)C#N
InChIInChI=1S/C17H24N4O3S/c1-17(2,14-18)19(3)16(22)13-20-9-11-21(12-10-20)25(23,24)15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3
InChIKeyHUSPZVCLXLNCNX-UHFFFAOYSA-N
XLogP0.75
TPSA84.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 8690260
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 78790054
N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8692054
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8743401
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8692545
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112799962
N-methyl-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 27183288
N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 55851412
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46560526
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone
CID 110366810

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide (CID 8692613) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide is CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(C)(C)C#N.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide?
The InChIKey is HUSPZVCLXLNCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-17(2,14-18)19(3)16(22)13-20-9-11-21(12-10-20)25(23,24)15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide has a molecular weight of 364.47 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 8692613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).