2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide

C18H19N3O2S — CID 6462246

IUPAC2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CC1NCCNC1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H19N3O2S/c22-17(12-15-18(23)20-11-10-19-15)21-14-8-4-5-9-16(14)24-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2,(H,20,23)(H,21,22)
InChIKeyHCXRXXXUANUSJF-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.25
Rot. Bonds5

About 2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide

2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 6462246) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID6462246
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CC1NCCNC1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H19N3O2S/c22-17(12-15-18(23)20-11-10-19-15)21-14-8-4-5-9-16(14)24-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2,(H,20,23)(H,21,22)
InChIKeyHCXRXXXUANUSJF-UHFFFAOYSA-N
XLogP2.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
2-[(2S,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 41168895
N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 41385144
N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 900615
ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
CID 7273597
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6927912
2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54794685
N-(2-phenylsulfanylphenyl)but-3-enamide
CID 162717598
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide (CID 6462246) is 2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide is O=C(CC1NCCNC1=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is HCXRXXXUANUSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17(12-15-18(23)20-11-10-19-15)21-14-8-4-5-9-16(14)24-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2,(H,20,23)(H,21,22).
What are the key properties of 2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 6462246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).