2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide

C21H26N3O2S+ — CID 9033852

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccccc2SCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2S/c1-17(25)24-13-11-23(12-14-24)15-21(26)22-19-9-5-6-10-20(19)27-16-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,22,26)/p+1
InChIKeyMJJOERCEUYAXDD-UHFFFAOYSA-O
MW384.53 g/mol
LogP1.66
Rot. Bonds6

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide (PubChem CID 9033852) has the molecular formula C21H26N3O2S+ and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide
PubChem CID9033852
Molecular FormulaC21H26N3O2S+
Molecular Weight384.53 g/mol
Exact Mass384.17
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccccc2SCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2S/c1-17(25)24-13-11-23(12-14-24)15-21(26)22-19-9-5-6-10-20(19)27-16-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,22,26)/p+1
InChIKeyMJJOERCEUYAXDD-UHFFFAOYSA-O
XLogP1.66
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylsulfanylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 9027350
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 8904341
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide
CID 7833202
2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide
CID 7991243
N-(2-benzylsulfanylphenyl)-2-morpholin-4-ylacetamide
CID 9033759
N-(2-ethylphenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide
CID 9022182
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 2698133
2-[4-[2-(4-acetamidophenyl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8745911
2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-phenylsulfanylpropyl)acetamide
CID 9276329
2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8679883

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide (CID 9033852) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide is CC(=O)N1CC[NH+](CC(=O)Nc2ccccc2SCc2ccccc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide?
The InChIKey is MJJOERCEUYAXDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O2S/c1-17(25)24-13-11-23(12-14-24)15-21(26)22-19-9-5-6-10-20(19)27-16-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,22,26)/p+1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide has a molecular weight of 384.53 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide is sourced from PubChem (CID 9033852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).