2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide

C24H24F3N3OS — CID 27397015

IUPAC2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24F3N3OS/c1-16(28-24(31)22-19(26)4-2-5-20(22)27)23(21-6-3-15-32-21)30-13-11-29(12-14-30)18-9-7-17(25)8-10-18/h2-10,15-16,23H,11-14H2,1H3,(H,28,31)/t16-,23+/m1/s1
InChIKeyHUNCPUYVRHVDSC-MWTRTKDXSA-N
MW459.54 g/mol
LogP4.85
Rot. Bonds6

About 2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide

2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 27397015) has the molecular formula C24H24F3N3OS and a molecular weight of 459.54 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID27397015
Molecular FormulaC24H24F3N3OS
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24F3N3OS/c1-16(28-24(31)22-19(26)4-2-5-20(22)27)23(21-6-3-15-32-21)30-13-11-29(12-14-30)18-9-7-17(25)8-10-18/h2-10,15-16,23H,11-14H2,1H3,(H,28,31)/t16-,23+/m1/s1
InChIKeyHUNCPUYVRHVDSC-MWTRTKDXSA-N
XLogP4.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397245
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-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 28820860
N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 7086561
2-chloro-N-[(1R,2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 129366046
2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665916
4-fluoro-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 20866508
N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2,3-dimethoxybenzamide
CID 27397127
N-[(1R,2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 27397079
3-fluoro-N-[(1S,2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665972
3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665971
4-chloro-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 126851837

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide (CID 27397015) is 2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide is C[C@@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is HUNCPUYVRHVDSC-MWTRTKDXSA-N. The full InChI is InChI=1S/C24H24F3N3OS/c1-16(28-24(31)22-19(26)4-2-5-20(22)27)23(21-6-3-15-32-21)30-13-11-29(12-14-30)18-9-7-17(25)8-10-18/h2-10,15-16,23H,11-14H2,1H3,(H,28,31)/t16-,23+/m1/s1.
What are the key properties of 2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 459.54 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 27397015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).