N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide

C15H23N3O4S — CID 110615144

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-13(19)17-7-9-18(10-8-17)15-5-3-14(4-6-15)16-23(20,21)12-11-22-2/h3-6,16H,7-12H2,1-2H3
InChIKeySBXFSZOVHBYXQR-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.74
Rot. Bonds6

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide (PubChem CID 110615144) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
PubChem CID110615144
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-13(19)17-7-9-18(10-8-17)15-5-3-14(4-6-15)16-23(20,21)12-11-22-2/h3-6,16H,7-12H2,1-2H3
InChIKeySBXFSZOVHBYXQR-UHFFFAOYSA-N
XLogP0.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110302048
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(methylsulfamoyl)aniline
CID 110627180
2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide
CID 62677742
N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
CID 110368214
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-(2-methoxyethyl)-2-[(4-piperidin-1-ylphenyl)sulfamoyl]acetamide
CID 47800835
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide
CID 110307285
2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide
CID 110609685
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide
CID 110369728
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110623026
1-[4-[4-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 43280986

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide (CID 110615144) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide?
The InChIKey is SBXFSZOVHBYXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-13(19)17-7-9-18(10-8-17)15-5-3-14(4-6-15)16-23(20,21)12-11-22-2/h3-6,16H,7-12H2,1-2H3.
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 110615144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).