N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide

C12H13N3O5S — CID 726637

IUPACN-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C12H13N3O5S/c1-8(16)13-9-2-4-10(5-3-9)21(19,20)15-6-11(17)14-12(18)7-15/h2-5H,6-7H2,1H3,(H,13,16)(H,14,17,18)
InChIKeyNKVOKSUESQNYRJ-UHFFFAOYSA-N
MW311.32 g/mol
LogP-0.71
Rot. Bonds3

About N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide

N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 726637) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID726637
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC NameN-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C12H13N3O5S/c1-8(16)13-9-2-4-10(5-3-9)21(19,20)15-6-11(17)14-12(18)7-15/h2-5H,6-7H2,1H3,(H,13,16)(H,14,17,18)
InChIKeyNKVOKSUESQNYRJ-UHFFFAOYSA-N
XLogP-0.71
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N4-Acetylsulfanilamide
CID 8482
Thaumatin
CID 1151816
N-Acetylsulfanilyl chloride
CID 8481
Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
N-(4-(pyrrolidine-1-sulfonyl)phenyl)prop-2-enamide
CID 43405474
2-cyano-N-(4-sulfamoylphenyl)acetamide
CID 2357187
Benzenesulfonyl fluoride, 4-(acetylamino)-
CID 67608
2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
N-[4-(hydroxysulfamoyl)phenyl]acetamide
CID 283995
N-(4-sulfamoylphenyl)propanamide
CID 847760
2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide
CID 2725651

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide (CID 726637) is N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is NKVOKSUESQNYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-8(16)13-9-2-4-10(5-3-9)21(19,20)15-6-11(17)14-12(18)7-15/h2-5H,6-7H2,1H3,(H,13,16)(H,14,17,18).
What are the key properties of N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide?
N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 311.32 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dioxopiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 726637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).