N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide

C18H22N2O3S — CID 2569307

IUPACN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CCOc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-2-20(14-17(21)19-13-16-9-6-12-24-16)18(22)10-11-23-15-7-4-3-5-8-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,19,21)
InChIKeyZSSVBPHMNVICNS-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.68
Rot. Bonds9

About N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide

N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide (PubChem CID 2569307) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide
PubChem CID2569307
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CCOc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-2-20(14-17(21)19-13-16-9-6-12-24-16)18(22)10-11-23-15-7-4-3-5-8-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,19,21)
InChIKeyZSSVBPHMNVICNS-UHFFFAOYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide (CID 2569307) is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide is CCN(CC(=O)NCc1cccs1)C(=O)CCOc1ccccc1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide?
The InChIKey is ZSSVBPHMNVICNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-20(14-17(21)19-13-16-9-6-12-24-16)18(22)10-11-23-15-7-4-3-5-8-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,19,21).
What are the key properties of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide?
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide has a molecular weight of 346.45 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 2569307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).