ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate

C16H21N3O6S — CID 3767273

IUPACethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H21N3O6S/c1-3-25-15(21)10-14-16(22)17-8-9-19(14)26(23,24)13-6-4-12(5-7-13)18-11(2)20/h4-7,14H,3,8-10H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyHSHAUODYVDVKSF-UHFFFAOYSA-N
MW383.43 g/mol
LogP0.09
Rot. Bonds6

About ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate

ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate (PubChem CID 3767273) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
PubChem CID3767273
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC Nameethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H21N3O6S/c1-3-25-15(21)10-14-16(22)17-8-9-19(14)26(23,24)13-6-4-12(5-7-13)18-11(2)20/h4-7,14H,3,8-10H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyHSHAUODYVDVKSF-UHFFFAOYSA-N
XLogP0.09
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate (CID 3767273) is ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate?
The InChIKey is HSHAUODYVDVKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6S/c1-3-25-15(21)10-14-16(22)17-8-9-19(14)26(23,24)13-6-4-12(5-7-13)18-11(2)20/h4-7,14H,3,8-10H2,1-2H3,(H,17,22)(H,18,20).
What are the key properties of ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate?
ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate has a molecular weight of 383.43 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 3767273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).