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

C25H28FN3O2S — CID 28821525

IUPAC4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCOc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H28FN3O2S/c1-18(27-25(30)19-9-11-20(26)12-10-19)24(23-8-5-17-32-23)29-15-13-28(14-16-29)21-6-3-4-7-22(21)31-2/h3-12,17-18,24H,13-16H2,1-2H3,(H,27,30)/t18-,24+/m0/s1
InChIKeyUBZNCCKXJUMKOP-MHECFPHRSA-N
MW453.58 g/mol
LogP4.58
Rot. Bonds7

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

4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 28821525) has the molecular formula C25H28FN3O2S and a molecular weight of 453.58 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID28821525
Molecular FormulaC25H28FN3O2S
Molecular Weight453.58 g/mol
Exact Mass453.19
IUPAC Name4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCOc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H28FN3O2S/c1-18(27-25(30)19-9-11-20(26)12-10-19)24(23-8-5-17-32-23)29-15-13-28(14-16-29)21-6-3-4-7-22(21)31-2/h3-12,17-18,24H,13-16H2,1-2H3,(H,27,30)/t18-,24+/m0/s1
InChIKeyUBZNCCKXJUMKOP-MHECFPHRSA-N
XLogP4.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 41144112
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide
CID 16806583
N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 92666033
4-fluoro-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 20866508
N-[(4-fluorophenyl)methyl]-N'-[(1S,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28821485
N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
CID 92666028
4-fluoro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30889143
4-methoxy-N-[(1S,2R)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 41144088
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
N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2,3-dimethoxybenzamide
CID 27397127
2-(3,4-dimethoxyphenyl)-N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]acetamide
CID 28821534

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide (CID 28821525) is 4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide is COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is UBZNCCKXJUMKOP-MHECFPHRSA-N. The full InChI is InChI=1S/C25H28FN3O2S/c1-18(27-25(30)19-9-11-20(26)12-10-19)24(23-8-5-17-32-23)29-15-13-28(14-16-29)21-6-3-4-7-22(21)31-2/h3-12,17-18,24H,13-16H2,1-2H3,(H,27,30)/t18-,24+/m0/s1.
What are the key properties of 4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?
4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 453.58 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 28821525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).