N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide

C13H18N2O3S — CID 47017273

IUPACN-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
SMILESCC(=O)NC(CC(=O)N1CCOCC1)c1cccs1
InChIInChI=1S/C13H18N2O3S/c1-10(16)14-11(12-3-2-8-19-12)9-13(17)15-4-6-18-7-5-15/h2-3,8,11H,4-7,9H2,1H3,(H,14,16)
InChIKeyAATHPHWZMHBCFX-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.17
Rot. Bonds4

About N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide

N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide (PubChem CID 47017273) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
PubChem CID47017273
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
SMILESCC(=O)NC(CC(=O)N1CCOCC1)c1cccs1
InChIInChI=1S/C13H18N2O3S/c1-10(16)14-11(12-3-2-8-19-12)9-13(17)15-4-6-18-7-5-15/h2-3,8,11H,4-7,9H2,1H3,(H,14,16)
InChIKeyAATHPHWZMHBCFX-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide (CID 47017273) is N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide is CC(=O)NC(CC(=O)N1CCOCC1)c1cccs1.
What is the InChIKey of N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is AATHPHWZMHBCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10(16)14-11(12-3-2-8-19-12)9-13(17)15-4-6-18-7-5-15/h2-3,8,11H,4-7,9H2,1H3,(H,14,16).
What are the key properties of N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide?
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide has a molecular weight of 282.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 47017273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).