2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

C20H27N3O2S — CID 3244176

IUPAC2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C20H27N3O2S/c1-15(21-20(24)16-7-4-5-8-17(16)25-3)19(18-9-6-14-26-18)23-12-10-22(2)11-13-23/h4-9,14-15,19H,10-13H2,1-3H3,(H,21,24)
InChIKeyLSQRMADQNSZKDI-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.86
Rot. Bonds6

About 2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide

2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 3244176) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID3244176
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C20H27N3O2S/c1-15(21-20(24)16-7-4-5-8-17(16)25-3)19(18-9-6-14-26-18)23-12-10-22(2)11-13-23/h4-9,14-15,19H,10-13H2,1-3H3,(H,21,24)
InChIKeyLSQRMADQNSZKDI-UHFFFAOYSA-N
XLogP2.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide (CID 3244176) is 2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is COc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of 2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is LSQRMADQNSZKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15(21-20(24)16-7-4-5-8-17(16)25-3)19(18-9-6-14-26-18)23-12-10-22(2)11-13-23/h4-9,14-15,19H,10-13H2,1-3H3,(H,21,24).
What are the key properties of 2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide?
2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 373.52 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 3244176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).