2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

C18H21FN2O2S — CID 4784852

IUPAC2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H21FN2O2S/c19-15-4-1-3-14(11-15)12-18(22)20-13-16(17-5-2-10-24-17)21-6-8-23-9-7-21/h1-5,10-11,16H,6-9,12-13H2,(H,20,22)
InChIKeyKWMWYMJUBBVUKZ-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.62
Rot. Bonds6

About 2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide

2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 4784852) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID4784852
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H21FN2O2S/c19-15-4-1-3-14(11-15)12-18(22)20-13-16(17-5-2-10-24-17)21-6-8-23-9-7-21/h1-5,10-11,16H,6-9,12-13H2,(H,20,22)
InChIKeyKWMWYMJUBBVUKZ-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide (CID 4784852) is 2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is O=C(Cc1cccc(F)c1)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is KWMWYMJUBBVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c19-15-4-1-3-14(11-15)12-18(22)20-13-16(17-5-2-10-24-17)21-6-8-23-9-7-21/h1-5,10-11,16H,6-9,12-13H2,(H,20,22).
What are the key properties of 2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide?
2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 348.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 4784852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).