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

C20H27N3O2S — CID 51179491

IUPAC2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCOc1ccc(CC(=O)NCC(c2cccs2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-22-9-11-23(12-10-22)18(19-4-3-13-26-19)15-21-20(24)14-16-5-7-17(25-2)8-6-16/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,21,24)
InChIKeyURNHFEWINQJHGH-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.40
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 51179491) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID51179491
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCOc1ccc(CC(=O)NCC(c2cccs2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-22-9-11-23(12-10-22)18(19-4-3-13-26-19)15-21-20(24)14-16-5-7-17(25-2)8-6-16/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,21,24)
InChIKeyURNHFEWINQJHGH-UHFFFAOYSA-N
XLogP2.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 35042423
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 7525949
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94006411
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 35345891
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
2-(4-methoxyphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17014749
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622459
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622460
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide (CID 51179491) is 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide is COc1ccc(CC(=O)NCC(c2cccs2)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is URNHFEWINQJHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-22-9-11-23(12-10-22)18(19-4-3-13-26-19)15-21-20(24)14-16-5-7-17(25-2)8-6-16/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide?
2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 373.52 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 51179491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).