N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide

C18H22N2O3S — CID 2998571

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H22N2O3S/c21-18(14-23-15-5-2-1-3-6-15)19-13-16(17-7-4-12-24-17)20-8-10-22-11-9-20/h1-7,12,16H,8-11,13-14H2,(H,19,21)
InChIKeyCRRRSQITUQIUHV-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.32
Rot. Bonds7

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide (PubChem CID 2998571) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide
PubChem CID2998571
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H22N2O3S/c21-18(14-23-15-5-2-1-3-6-15)19-13-16(17-7-4-12-24-17)20-8-10-22-11-9-20/h1-7,12,16H,8-11,13-14H2,(H,19,21)
InChIKeyCRRRSQITUQIUHV-UHFFFAOYSA-N
XLogP2.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide (CID 2998571) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide is O=C(COc1ccccc1)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide?
The InChIKey is CRRRSQITUQIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-18(14-23-15-5-2-1-3-6-15)19-13-16(17-7-4-12-24-17)20-8-10-22-11-9-20/h1-7,12,16H,8-11,13-14H2,(H,19,21).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide has a molecular weight of 346.45 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-phenoxyacetamide is sourced from PubChem (CID 2998571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).