N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide

C19H30N4O3S — CID 20866369

IUPACN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide
SMILESCCN1CCN(C(c2cccs2)C(C)NC(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H30N4O3S/c1-3-21-6-8-22(9-7-21)17(16-5-4-14-27-16)15(2)20-18(24)19(25)23-10-12-26-13-11-23/h4-5,14-15,17H,3,6-13H2,1-2H3,(H,20,24)
InChIKeyWVIQFXSRQZEUND-UHFFFAOYSA-N
MW394.54 g/mol
LogP0.79
Rot. Bonds5

About N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide

N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 20866369) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide
PubChem CID20866369
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide
SMILESCCN1CCN(C(c2cccs2)C(C)NC(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H30N4O3S/c1-3-21-6-8-22(9-7-21)17(16-5-4-14-27-16)15(2)20-18(24)19(25)23-10-12-26-13-11-23/h4-5,14-15,17H,3,6-13H2,1-2H3,(H,20,24)
InChIKeyWVIQFXSRQZEUND-UHFFFAOYSA-N
XLogP0.79
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 50.79
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 N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide (CID 20866369) is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide is CCN1CCN(C(c2cccs2)C(C)NC(=O)C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is WVIQFXSRQZEUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-3-21-6-8-22(9-7-21)17(16-5-4-14-27-16)15(2)20-18(24)19(25)23-10-12-26-13-11-23/h4-5,14-15,17H,3,6-13H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide?
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 394.54 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 20866369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).