N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide

C13H18N2O3S — CID 71977244

IUPACN-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide
SMILESCCC1COCCN1C(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C13H18N2O3S/c1-2-11-8-18-5-4-15(11)12(16)7-14-13(17)10-3-6-19-9-10/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,14,17)
InChIKeyNSOLCZTZCMDJNA-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.12
Rot. Bonds4

About N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide

N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 71977244) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide
PubChem CID71977244
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide
SMILESCCC1COCCN1C(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C13H18N2O3S/c1-2-11-8-18-5-4-15(11)12(16)7-14-13(17)10-3-6-19-9-10/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,14,17)
InChIKeyNSOLCZTZCMDJNA-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide (CID 71977244) is N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide is CCC1COCCN1C(=O)CNC(=O)c1ccsc1.
What is the InChIKey of N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is NSOLCZTZCMDJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-11-8-18-5-4-15(11)12(16)7-14-13(17)10-3-6-19-9-10/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,14,17).
What are the key properties of N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide?
N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 71977244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).