2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide

C20H27N3O3S — CID 16931485

IUPAC2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
SMILESCOc1cccc(OCC(=O)NCC(c2ccsc2)N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N3O3S/c1-22-7-9-23(10-8-22)19(16-6-11-27-15-16)13-21-20(24)14-26-18-5-3-4-17(12-18)25-2/h3-6,11-12,15,19H,7-10,13-14H2,1-2H3,(H,21,24)
InChIKeyYDZMPZPKLWKZCL-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.24
Rot. Bonds8

About 2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide

2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide (PubChem CID 16931485) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
PubChem CID16931485
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
SMILESCOc1cccc(OCC(=O)NCC(c2ccsc2)N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N3O3S/c1-22-7-9-23(10-8-22)19(16-6-11-27-15-16)13-21-20(24)14-26-18-5-3-4-17(12-18)25-2/h3-6,11-12,15,19H,7-10,13-14H2,1-2H3,(H,21,24)
InChIKeyYDZMPZPKLWKZCL-UHFFFAOYSA-N
XLogP2.24
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide (CID 16931485) is 2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide is COc1cccc(OCC(=O)NCC(c2ccsc2)N2CCN(C)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide?
The InChIKey is YDZMPZPKLWKZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-22-7-9-23(10-8-22)19(16-6-11-27-15-16)13-21-20(24)14-26-18-5-3-4-17(12-18)25-2/h3-6,11-12,15,19H,7-10,13-14H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide?
2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 16931485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).