3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide

C20H26FN3OS — CID 110622453

IUPAC3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide
SMILESCN1CCN(C(CNC(=O)CCc2ccccc2F)c2cccs2)CC1
InChIInChI=1S/C20H26FN3OS/c1-23-10-12-24(13-11-23)18(19-7-4-14-26-19)15-22-20(25)9-8-16-5-2-3-6-17(16)21/h2-7,14,18H,8-13,15H2,1H3,(H,22,25)
InChIKeyBUDJTRORULAUIN-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.92
Rot. Bonds7

About 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide

3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide (PubChem CID 110622453) has the molecular formula C20H26FN3OS and a molecular weight of 375.51 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide
PubChem CID110622453
Molecular FormulaC20H26FN3OS
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC Name3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide
SMILESCN1CCN(C(CNC(=O)CCc2ccccc2F)c2cccs2)CC1
InChIInChI=1S/C20H26FN3OS/c1-23-10-12-24(13-11-23)18(19-7-4-14-26-19)15-22-20(25)9-8-16-5-2-3-6-17(16)21/h2-7,14,18H,8-13,15H2,1H3,(H,22,25)
InChIKeyBUDJTRORULAUIN-UHFFFAOYSA-N
XLogP2.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51179491
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
CID 8798410
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622459
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94006411
1-[2-(4-fluorophenyl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 47022400
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51181050
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide
CID 34942725
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622460

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide (CID 110622453) is 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide is CN1CCN(C(CNC(=O)CCc2ccccc2F)c2cccs2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide?
The InChIKey is BUDJTRORULAUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3OS/c1-23-10-12-24(13-11-23)18(19-7-4-14-26-19)15-22-20(25)9-8-16-5-2-3-6-17(16)21/h2-7,14,18H,8-13,15H2,1H3,(H,22,25).
What are the key properties of 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide?
3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide has a molecular weight of 375.51 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 110622453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).