2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide

C20H24N4O2S — CID 108515107

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide
SMILESNCCN1CCN(C(=O)C(=O)Nc2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C20H24N4O2S/c21-10-11-23-12-14-24(15-13-23)20(26)19(25)22-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-9H,10-15,21H2,(H,22,25)
InChIKeyVPNKOTSWWLKESI-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.88
Rot. Bonds5

About 2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide

2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 108515107) has the molecular formula C20H24N4O2S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID108515107
Molecular FormulaC20H24N4O2S
Molecular Weight384.50 g/mol
Exact Mass384.16
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide
SMILESNCCN1CCN(C(=O)C(=O)Nc2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C20H24N4O2S/c21-10-11-23-12-14-24(15-13-23)20(26)19(25)22-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-9H,10-15,21H2,(H,22,25)
InChIKeyVPNKOTSWWLKESI-UHFFFAOYSA-N
XLogP1.88
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide
CID 108514264
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
4-(2-aminoethyl)-N-(2-sulfanylphenyl)piperazine-1-carboxamide
CID 108886367
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515651
2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 44902185
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 108515529
2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108517764
2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide
CID 108517914
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide
CID 108517834
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 55432351
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide (CID 108515107) is 2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide is NCCN1CCN(C(=O)C(=O)Nc2ccccc2Sc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is VPNKOTSWWLKESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c21-10-11-23-12-14-24(15-13-23)20(26)19(25)22-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-9H,10-15,21H2,(H,22,25).
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 384.50 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 108515107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).