4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide

C18H19N3O4S — CID 8608210

IUPAC4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H19N3O4S/c19-17(23)13-3-5-14(6-4-13)25-12-16(22)20-7-9-21(10-8-20)18(24)15-2-1-11-26-15/h1-6,11H,7-10,12H2,(H2,19,23)
InChIKeyMLCPNRLKJCUENT-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.21
Rot. Bonds5

About 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide

4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide (PubChem CID 8608210) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide
PubChem CID8608210
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H19N3O4S/c19-17(23)13-3-5-14(6-4-13)25-12-16(22)20-7-9-21(10-8-20)18(24)15-2-1-11-26-15/h1-6,11H,7-10,12H2,(H2,19,23)
InChIKeyMLCPNRLKJCUENT-UHFFFAOYSA-N
XLogP1.21
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798120
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022751
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 26675446
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108546420
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3-amino-4-chlorobenzoate
CID 8509538
4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide
CID 7931291
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide
CID 17461255
2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394361

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide (CID 8608210) is 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide is NC(=O)c1ccc(OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide?
The InChIKey is MLCPNRLKJCUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c19-17(23)13-3-5-14(6-4-13)25-12-16(22)20-7-9-21(10-8-20)18(24)15-2-1-11-26-15/h1-6,11H,7-10,12H2,(H2,19,23).
What are the key properties of 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide?
4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide has a molecular weight of 373.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide is sourced from PubChem (CID 8608210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).