2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide

C23H30N4O3S — CID 20866387

IUPAC2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(NC(=O)C(=O)N1CCOCC1)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O3S/c1-18(24-22(28)23(29)27-13-15-30-16-14-27)21(20-8-5-17-31-20)26-11-9-25(10-12-26)19-6-3-2-4-7-19/h2-8,17-18,21H,9-16H2,1H3,(H,24,28)
InChIKeyONSRSVXXFYQFPE-UHFFFAOYSA-N
MW442.59 g/mol
LogP1.97
Rot. Bonds5

About 2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide

2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide (PubChem CID 20866387) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
PubChem CID20866387
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(NC(=O)C(=O)N1CCOCC1)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O3S/c1-18(24-22(28)23(29)27-13-15-30-16-14-27)21(20-8-5-17-31-20)26-11-9-25(10-12-26)19-6-3-2-4-7-19/h2-8,17-18,21H,9-16H2,1H3,(H,24,28)
InChIKeyONSRSVXXFYQFPE-UHFFFAOYSA-N
XLogP1.97
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The IUPAC name of 2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide (CID 20866387) is 2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide is CC(NC(=O)C(=O)N1CCOCC1)C(c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The InChIKey is ONSRSVXXFYQFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-18(24-22(28)23(29)27-13-15-30-16-14-27)21(20-8-5-17-31-20)26-11-9-25(10-12-26)19-6-3-2-4-7-19/h2-8,17-18,21H,9-16H2,1H3,(H,24,28).
What are the key properties of 2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide has a molecular weight of 442.59 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-oxo-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 20866387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).