2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide

C18H22FN3OS — CID 16931415

IUPAC2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2ccccc2F)c2ccsc2)CC1
InChIInChI=1S/C18H22FN3OS/c1-21-7-9-22(10-8-21)17(14-6-11-24-13-14)12-20-18(23)15-4-2-3-5-16(15)19/h2-6,11,13,17H,7-10,12H2,1H3,(H,20,23)
InChIKeyCTRKSAMCZWNWDH-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.61
Rot. Bonds5

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

2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide (PubChem CID 16931415) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
PubChem CID16931415
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC Name2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2ccccc2F)c2ccsc2)CC1
InChIInChI=1S/C18H22FN3OS/c1-21-7-9-22(10-8-21)17(14-6-11-24-13-14)12-20-18(23)15-4-2-3-5-16(15)19/h2-6,11,13,17H,7-10,12H2,1H3,(H,20,23)
InChIKeyCTRKSAMCZWNWDH-UHFFFAOYSA-N
XLogP2.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide (CID 16931415) is 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide is CN1CCN(C(CNC(=O)c2ccccc2F)c2ccsc2)CC1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The InChIKey is CTRKSAMCZWNWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-21-7-9-22(10-8-21)17(14-6-11-24-13-14)12-20-18(23)15-4-2-3-5-16(15)19/h2-6,11,13,17H,7-10,12H2,1H3,(H,20,23).
What are the key properties of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 16931415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).