4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide

C19H22N2O3S — CID 16725905

IUPAC4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide
SMILESNC(=O)c1ccc(OCC2(NCC(=O)c3ccsc3)CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c20-18(23)14-3-5-16(6-4-14)24-13-19(8-1-2-9-19)21-11-17(22)15-7-10-25-12-15/h3-7,10,12,21H,1-2,8-9,11,13H2,(H2,20,23)
InChIKeyLMKXIVHWGZZOBT-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.01
Rot. Bonds8

About 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide

4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide (PubChem CID 16725905) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide
PubChem CID16725905
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide
SMILESNC(=O)c1ccc(OCC2(NCC(=O)c3ccsc3)CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c20-18(23)14-3-5-16(6-4-14)24-13-19(8-1-2-9-19)21-11-17(22)15-7-10-25-12-15/h3-7,10,12,21H,1-2,8-9,11,13H2,(H2,20,23)
InChIKeyLMKXIVHWGZZOBT-UHFFFAOYSA-N
XLogP3.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide?
The IUPAC name of 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide (CID 16725905) is 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide.
What is the SMILES notation for 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide?
The canonical SMILES for 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide is NC(=O)c1ccc(OCC2(NCC(=O)c3ccsc3)CCCC2)cc1.
What is the InChIKey of 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide?
The InChIKey is LMKXIVHWGZZOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c20-18(23)14-3-5-16(6-4-14)24-13-19(8-1-2-9-19)21-11-17(22)15-7-10-25-12-15/h3-7,10,12,21H,1-2,8-9,11,13H2,(H2,20,23).
What are the key properties of 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide?
4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-oxo-2-thiophen-3-ylethyl)amino]cyclopentyl]methoxy]benzamide is sourced from PubChem (CID 16725905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).