4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

C20H26ClN3OS — CID 7110760

IUPAC4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H26ClN3OS/c1-3-23-10-12-24(13-11-23)19(18-5-4-14-26-18)15(2)22-20(25)16-6-8-17(21)9-7-16/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,22,25)/t15-,19-/m1/s1
InChIKeyWQQYLQYIMKCFSM-DNVCBOLYSA-N
MW391.97 g/mol
LogP3.90
Rot. Bonds6

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

4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 7110760) has the molecular formula C20H26ClN3OS and a molecular weight of 391.97 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID7110760
Molecular FormulaC20H26ClN3OS
Molecular Weight391.97 g/mol
Exact Mass391.15
IUPAC Name4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H26ClN3OS/c1-3-23-10-12-24(13-11-23)19(18-5-4-14-26-18)15(2)22-20(25)16-6-8-17(21)9-7-16/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,22,25)/t15-,19-/m1/s1
InChIKeyWQQYLQYIMKCFSM-DNVCBOLYSA-N
XLogP3.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

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]thiophene-2-carboxamide
CID 28821030
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
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide
CID 29181317
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 92665868
N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110824
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide
CID 51631158
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methoxybenzamide
CID 5310009
4-chloro-N-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30622327
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide
CID 6710505
4-ethoxy-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110678

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (CID 7110760) is 4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is WQQYLQYIMKCFSM-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H26ClN3OS/c1-3-23-10-12-24(13-11-23)19(18-5-4-14-26-18)15(2)22-20(25)16-6-8-17(21)9-7-16/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,22,25)/t15-,19-/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 391.97 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 7110760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).