2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide

C23H29N3OS — CID 18125341

IUPAC2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29N3OS/c1-2-18-28-22-11-7-6-10-21(22)24-23(27)19-26-16-14-25(15-17-26)13-12-20-8-4-3-5-9-20/h2-11H,1,12-19H2,(H,24,27)
InChIKeyDSUPEFNQUHBZTC-UHFFFAOYSA-N
MW395.57 g/mol
LogP3.76
Rot. Bonds9

About 2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide

2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide (PubChem CID 18125341) has the molecular formula C23H29N3OS and a molecular weight of 395.57 g/mol. Its IUPAC name is 2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
PubChem CID18125341
Molecular FormulaC23H29N3OS
Molecular Weight395.57 g/mol
Exact Mass395.20
IUPAC Name2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29N3OS/c1-2-18-28-22-11-7-6-10-21(22)24-23(27)19-26-16-14-25(15-17-26)13-12-20-8-4-3-5-9-20/h2-11H,1,12-19H2,(H,24,27)
InChIKeyDSUPEFNQUHBZTC-UHFFFAOYSA-N
XLogP3.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 60595733
2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide
CID 18088532
2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 86928063
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 42939544
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 111543814
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
N-(5-chloro-2-pyridinyl)-1-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 55816126
N-(2-benzylsulfanylphenyl)-2-morpholin-4-ylacetamide
CID 9033759
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 39965678
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide (CID 18125341) is 2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide is C=CCSc1ccccc1NC(=O)CN1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The InChIKey is DSUPEFNQUHBZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OS/c1-2-18-28-22-11-7-6-10-21(22)24-23(27)19-26-16-14-25(15-17-26)13-12-20-8-4-3-5-9-20/h2-11H,1,12-19H2,(H,24,27).
What are the key properties of 2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide?
2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide has a molecular weight of 395.57 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide is sourced from PubChem (CID 18125341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).