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

C19H23F2N3OS — CID 28820860

IUPAC2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1c(F)cccc1F)[C@H](c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C19H23F2N3OS/c1-13(22-19(25)17-14(20)5-3-6-15(17)21)18(16-7-4-12-26-16)24-10-8-23(2)9-11-24/h3-7,12-13,18H,8-11H2,1-2H3,(H,22,25)/t13-,18+/m0/s1
InChIKeySVDICERWVZBSIK-SCLBCKFNSA-N
MW379.48 g/mol
LogP3.13
Rot. Bonds5

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

2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 28820860) has the molecular formula C19H23F2N3OS and a molecular weight of 379.48 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID28820860
Molecular FormulaC19H23F2N3OS
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1c(F)cccc1F)[C@H](c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C19H23F2N3OS/c1-13(22-19(25)17-14(20)5-3-6-15(17)21)18(16-7-4-12-26-16)24-10-8-23(2)9-11-24/h3-7,12-13,18H,8-11H2,1-2H3,(H,22,25)/t13-,18+/m0/s1
InChIKeySVDICERWVZBSIK-SCLBCKFNSA-N
XLogP3.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.13
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
2,6-difluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397015
2-methyl-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 92665812
2-methyl-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 92665810
N-[(1R,2R)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 92665829
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-(dimethylamino)-N-[(1R,2R)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665833
2-fluoro-N-[(1S,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665916
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide
CID 28821010
2-methoxy-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 92665816
N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 92665827

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (CID 28820860) is 2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is C[C@H](NC(=O)c1c(F)cccc1F)[C@H](c1cccs1)N1CCN(C)CC1.
What is the InChIKey of 2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is SVDICERWVZBSIK-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H23F2N3OS/c1-13(22-19(25)17-14(20)5-3-6-15(17)21)18(16-7-4-12-26-16)24-10-8-23(2)9-11-24/h3-7,12-13,18H,8-11H2,1-2H3,(H,22,25)/t13-,18+/m0/s1.
What are the key properties of 2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 379.48 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 28820860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).