2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide

C20H26FN3OS — CID 3236509

IUPAC2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C20H26FN3OS/c1-15(22-19(25)14-16-5-7-17(21)8-6-16)20(18-4-3-13-26-18)24-11-9-23(2)10-12-24/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyZLUPLXHYDPNXFN-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.92
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide

2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide (PubChem CID 3236509) has the molecular formula C20H26FN3OS and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
PubChem CID3236509
Molecular FormulaC20H26FN3OS
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC Name2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C20H26FN3OS/c1-15(22-19(25)14-16-5-7-17(21)8-6-16)20(18-4-3-13-26-18)24-11-9-23(2)10-12-24/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyZLUPLXHYDPNXFN-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(thiophen-3-yl)phenyl]ethyl]amino}pentanamide
CID 10150891
1-[4-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 15697378
Proline scaffold, 28
CID 42618125
(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883427
N-[2-(4-fluorophenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 808451
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971490
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide (CID 3236509) is 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide is CC(NC(=O)Cc1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The InChIKey is ZLUPLXHYDPNXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3OS/c1-15(22-19(25)14-16-5-7-17(21)8-6-16)20(18-4-3-13-26-18)24-11-9-23(2)10-12-24/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide has a molecular weight of 375.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 3236509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).