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

C17H29N3OS — CID 4654599

IUPACN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
SMILESCCN1CCN(C(c2cccs2)C(C)NC(=O)C(C)C)CC1
InChIInChI=1S/C17H29N3OS/c1-5-19-8-10-20(11-9-19)16(15-7-6-12-22-15)14(4)18-17(21)13(2)3/h6-7,12-14,16H,5,8-11H2,1-4H3,(H,18,21)
InChIKeySWBDOJSSVFWGLH-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.59
Rot. Bonds6

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

N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide (PubChem CID 4654599) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
PubChem CID4654599
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
SMILESCCN1CCN(C(c2cccs2)C(C)NC(=O)C(C)C)CC1
InChIInChI=1S/C17H29N3OS/c1-5-19-8-10-20(11-9-19)16(15-7-6-12-22-15)14(4)18-17(21)13(2)3/h6-7,12-14,16H,5,8-11H2,1-4H3,(H,18,21)
InChIKeySWBDOJSSVFWGLH-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methylpropanamide?
The IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide (CID 4654599) is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide is CCN1CCN(C(c2cccs2)C(C)NC(=O)C(C)C)CC1.
What is the InChIKey of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide?
The InChIKey is SWBDOJSSVFWGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-5-19-8-10-20(11-9-19)16(15-7-6-12-22-15)14(4)18-17(21)13(2)3/h6-7,12-14,16H,5,8-11H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide?
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide has a molecular weight of 323.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-methylpropanamide is sourced from PubChem (CID 4654599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).