3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide

C17H27N3O3S — CID 50819223

IUPAC3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)C(C)C)c1
InChIInChI=1S/C17H27N3O3S/c1-14(2)20(17(21)16-6-4-5-15(3)13-16)11-12-24(22,23)19-9-7-18-8-10-19/h4-6,13-14,18H,7-12H2,1-3H3
InChIKeyJYNCKEHVCFTBAO-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.08
Rot. Bonds6

About 3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide

3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide (PubChem CID 50819223) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide
PubChem CID50819223
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)C(C)C)c1
InChIInChI=1S/C17H27N3O3S/c1-14(2)20(17(21)16-6-4-5-15(3)13-16)11-12-24(22,23)19-9-7-18-8-10-19/h4-6,13-14,18H,7-12H2,1-3H3
InChIKeyJYNCKEHVCFTBAO-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146061538
N-ethyl-3-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061588
3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090809
N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820985
N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50819158
4-chloro-N-[(2S)-2-phenylpropyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090789
2,5-dimethyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971432
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820941
N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide
CID 50819080
N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 50821050
3-methylbenzoic acid;1-methylpiperazine
CID 174580798

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide (CID 50819223) is 3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide is Cc1cccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)C(C)C)c1.
What is the InChIKey of 3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide?
The InChIKey is JYNCKEHVCFTBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14(2)20(17(21)16-6-4-5-15(3)13-16)11-12-24(22,23)19-9-7-18-8-10-19/h4-6,13-14,18H,7-12H2,1-3H3.
What are the key properties of 3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide?
3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide has a molecular weight of 353.49 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 50819223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).