2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide

C18H21F2N3OS — CID 16931389

IUPAC2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2c(F)cccc2F)c2ccsc2)CC1
InChIInChI=1S/C18H21F2N3OS/c1-22-6-8-23(9-7-22)16(13-5-10-25-12-13)11-21-18(24)17-14(19)3-2-4-15(17)20/h2-5,10,12,16H,6-9,11H2,1H3,(H,21,24)
InChIKeyVJHFMBBVBZPGJE-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.74
Rot. Bonds5

About 2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide

2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide (PubChem CID 16931389) has the molecular formula C18H21F2N3OS and a molecular weight of 365.45 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
PubChem CID16931389
Molecular FormulaC18H21F2N3OS
Molecular Weight365.45 g/mol
Exact Mass365.14
IUPAC Name2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2c(F)cccc2F)c2ccsc2)CC1
InChIInChI=1S/C18H21F2N3OS/c1-22-6-8-23(9-7-22)16(13-5-10-25-12-13)11-21-18(24)17-14(19)3-2-4-15(17)20/h2-5,10,12,16H,6-9,11H2,1H3,(H,21,24)
InChIKeyVJHFMBBVBZPGJE-UHFFFAOYSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide (CID 16931389) is 2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide is CN1CCN(C(CNC(=O)c2c(F)cccc2F)c2ccsc2)CC1.
What is the InChIKey of 2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The InChIKey is VJHFMBBVBZPGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3OS/c1-22-6-8-23(9-7-22)16(13-5-10-25-12-13)11-21-18(24)17-14(19)3-2-4-15(17)20/h2-5,10,12,16H,6-9,11H2,1H3,(H,21,24).
What are the key properties of 2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide has a molecular weight of 365.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 16931389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).