N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide

C12H15N3O4S — CID 2604516

IUPACN-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H15N3O4S/c1-9(16)14-10-2-4-11(5-3-10)20(18,19)15-7-6-13-12(17)8-15/h2-5H,6-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyUWOATPCHLYIUHK-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.23
Rot. Bonds3

About N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide

N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 2604516) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID2604516
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H15N3O4S/c1-9(16)14-10-2-4-11(5-3-10)20(18,19)15-7-6-13-12(17)8-15/h2-5H,6-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyUWOATPCHLYIUHK-UHFFFAOYSA-N
XLogP-0.23
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide (CID 2604516) is N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is UWOATPCHLYIUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-9(16)14-10-2-4-11(5-3-10)20(18,19)15-7-6-13-12(17)8-15/h2-5H,6-8H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide?
N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 297.34 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 2604516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).