2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

C20H23N3O2S — CID 3966874

IUPAC2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C20H23N3O2S/c1-16(24)23-13-11-22(12-14-23)15-20(25)21-18-9-5-6-10-19(18)26-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,21,25)
InChIKeyQLIPLXZIEDFREV-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 3966874) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID3966874
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C20H23N3O2S/c1-16(24)23-13-11-22(12-14-23)15-20(25)21-18-9-5-6-10-19(18)26-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,21,25)
InChIKeyQLIPLXZIEDFREV-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (CID 3966874) is 2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is QLIPLXZIEDFREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-16(24)23-13-11-22(12-14-23)15-20(25)21-18-9-5-6-10-19(18)26-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,21,25).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 3966874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).