2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide

C17H27N3O5S — CID 9190138

IUPAC2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NC)CC2)cc1OCC
InChIInChI=1S/C17H27N3O5S/c1-4-24-15-7-6-14(12-16(15)25-5-2)26(22,23)20-10-8-19(9-11-20)13-17(21)18-3/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,18,21)
InChIKeyGVKPELHIQSNQFD-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.54
Rot. Bonds8

About 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide

2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide (PubChem CID 9190138) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
PubChem CID9190138
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NC)CC2)cc1OCC
InChIInChI=1S/C17H27N3O5S/c1-4-24-15-7-6-14(12-16(15)25-5-2)26(22,23)20-10-8-19(9-11-20)13-17(21)18-3/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,18,21)
InChIKeyGVKPELHIQSNQFD-UHFFFAOYSA-N
XLogP0.54
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9189839
N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 6492327
1-(3,4-diethoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 45445124
(2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97029826
N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678943
1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
CID 9030930
ethyl N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8758031
3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571748
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane
CID 119963333
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8746920
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8746936
N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 31344259

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide (CID 9190138) is 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide is CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NC)CC2)cc1OCC.
What is the InChIKey of 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
The InChIKey is GVKPELHIQSNQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-4-24-15-7-6-14(12-16(15)25-5-2)26(22,23)20-10-8-19(9-11-20)13-17(21)18-3/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,18,21).
What are the key properties of 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide has a molecular weight of 385.49 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 9190138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).