2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide

C20H30N4O2S — CID 18088532

IUPAC2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide
SMILESC=CCSc1ccccc1NC(=O)CN1CCN(CC(=O)NCCC)CC1
InChIInChI=1S/C20H30N4O2S/c1-3-9-21-19(25)15-23-10-12-24(13-11-23)16-20(26)22-17-7-5-6-8-18(17)27-14-4-2/h4-8H,2-3,9-16H2,1H3,(H,21,25)(H,22,26)
InChIKeyCFIAPYIWFQFFCN-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.05
Rot. Bonds10

About 2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide

2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 18088532) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide
PubChem CID18088532
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide
SMILESC=CCSc1ccccc1NC(=O)CN1CCN(CC(=O)NCCC)CC1
InChIInChI=1S/C20H30N4O2S/c1-3-9-21-19(25)15-23-10-12-24(13-11-23)16-20(26)22-17-7-5-6-8-18(17)27-14-4-2/h4-8H,2-3,9-16H2,1H3,(H,21,25)(H,22,26)
InChIKeyCFIAPYIWFQFFCN-UHFFFAOYSA-N
XLogP2.05
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 18125341
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
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
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
2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide
CID 134014539
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 39965678
2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
CID 18284875
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
CID 8800252

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide (CID 18088532) is 2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide is C=CCSc1ccccc1NC(=O)CN1CCN(CC(=O)NCCC)CC1.
What is the InChIKey of 2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is CFIAPYIWFQFFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-3-9-21-19(25)15-23-10-12-24(13-11-23)16-20(26)22-17-7-5-6-8-18(17)27-14-4-2/h4-8H,2-3,9-16H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 390.55 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 18088532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).