N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide

C20H26FN3OS — CID 28821010

IUPACN-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide
SMILESCCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H26FN3OS/c1-3-23-10-12-24(13-11-23)19(18-9-6-14-26-18)15(2)22-20(25)16-7-4-5-8-17(16)21/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,22,25)/t15-,19+/m0/s1
InChIKeyCJWWXDQIUARCBI-HNAYVOBHSA-N
MW375.51 g/mol
LogP3.38
Rot. Bonds6

About N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide

N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide (PubChem CID 28821010) has the molecular formula C20H26FN3OS and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide
PubChem CID28821010
Molecular FormulaC20H26FN3OS
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC NameN-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide
SMILESCCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H26FN3OS/c1-3-23-10-12-24(13-11-23)19(18-9-6-14-26-18)15(2)22-20(25)16-7-4-5-8-17(16)21/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,22,25)/t15-,19+/m0/s1
InChIKeyCJWWXDQIUARCBI-HNAYVOBHSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methoxybenzamide
CID 5310009
2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665916
4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110760
2-fluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397145
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 28821030
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 92665868
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 6710461
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 29181317
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide
CID 6710505
2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 28820860
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide
CID 51631158
N'-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-[(4-fluorophenyl)methyl]oxamide
CID 92665853

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide (CID 28821010) is N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide is CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide?
The InChIKey is CJWWXDQIUARCBI-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H26FN3OS/c1-3-23-10-12-24(13-11-23)19(18-9-6-14-26-18)15(2)22-20(25)16-7-4-5-8-17(16)21/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,22,25)/t15-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide?
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide has a molecular weight of 375.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 28821010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).