2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

C24H26FN3OS — CID 92665916

IUPAC2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26FN3OS/c1-18(26-24(29)20-10-5-6-11-21(20)25)23(22-12-7-17-30-22)28-15-13-27(14-16-28)19-8-3-2-4-9-19/h2-12,17-18,23H,13-16H2,1H3,(H,26,29)/t18-,23-/m0/s1
InChIKeyPSTXPRDTIYBNSR-MBSDFSHPSA-N
MW423.56 g/mol
LogP4.57
Rot. Bonds6

About 2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 92665916) has the molecular formula C24H26FN3OS and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID92665916
Molecular FormulaC24H26FN3OS
Molecular Weight423.56 g/mol
Exact Mass423.18
IUPAC Name2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26FN3OS/c1-18(26-24(29)20-10-5-6-11-21(20)25)23(22-12-7-17-30-22)28-15-13-27(14-16-28)19-8-3-2-4-9-19/h2-12,17-18,23H,13-16H2,1H3,(H,26,29)/t18-,23-/m0/s1
InChIKeyPSTXPRDTIYBNSR-MBSDFSHPSA-N
XLogP4.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397145
2,6-difluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397245
4-chloro-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 126851837
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide
CID 28821010
2-chloro-N-[(1R,2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 129366046
2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397015
N-[(1R,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 28821094
3-methyl-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide
CID 92665912
N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2,3-dimethoxybenzamide
CID 27397127
phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate
CID 6710506
N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 7086561
ethyl 2-oxo-2-[[(1R,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]amino]acetate
CID 51862586

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (CID 92665916) is 2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is PSTXPRDTIYBNSR-MBSDFSHPSA-N. The full InChI is InChI=1S/C24H26FN3OS/c1-18(26-24(29)20-10-5-6-11-21(20)25)23(22-12-7-17-30-22)28-15-13-27(14-16-28)19-8-3-2-4-9-19/h2-12,17-18,23H,13-16H2,1H3,(H,26,29)/t18-,23-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 92665916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).