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

C20H26FN3OS — CID 3236467

IUPACN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide
SMILESCCN1CCN(C(c2cccs2)C(C)NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H26FN3OS/c1-3-23-10-12-24(13-11-23)19(18-9-6-14-26-18)15(2)22-20(25)16-7-4-5-8-17(16)21/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyCJWWXDQIUARCBI-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.38
Rot. Bonds6

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

N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide (PubChem CID 3236467) has the molecular formula C20H26FN3OS and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide
PubChem CID3236467
Molecular FormulaC20H26FN3OS
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide
SMILESCCN1CCN(C(c2cccs2)C(C)NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H26FN3OS/c1-3-23-10-12-24(13-11-23)19(18-9-6-14-26-18)15(2)22-20(25)16-7-4-5-8-17(16)21/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyCJWWXDQIUARCBI-UHFFFAOYSA-N
XLogP3.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.38
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-fluorobenzamide?
The IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide (CID 3236467) is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide is CCN1CCN(C(c2cccs2)C(C)NC(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide?
The InChIKey is CJWWXDQIUARCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3OS/c1-3-23-10-12-24(13-11-23)19(18-9-6-14-26-18)15(2)22-20(25)16-7-4-5-8-17(16)21/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide?
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide has a molecular weight of 375.51 g/mol, XLogP of 3.38, 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-fluorobenzamide is sourced from PubChem (CID 3236467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).