2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide

C20H23N3O2S — CID 9223624

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H23N3O2S/c1-26-18-9-5-8-17(14-18)21-19(24)15-22-10-12-23(13-11-22)20(25)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,21,24)
InChIKeyJHUYELLQLHEUCH-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.81
Rot. Bonds5

About 2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 9223624) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID9223624
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H23N3O2S/c1-26-18-9-5-8-17(14-18)21-19(24)15-22-10-12-23(13-11-22)20(25)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,21,24)
InChIKeyJHUYELLQLHEUCH-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 60503003
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide
CID 9223268
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 17486154
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35223508
N-(3-methylsulfanylphenyl)-4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazine-1-carboxamide
CID 56814992

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide (CID 9223624) is 2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is JHUYELLQLHEUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-26-18-9-5-8-17(14-18)21-19(24)15-22-10-12-23(13-11-22)20(25)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,21,24).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9223624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).