5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide

C13H20N2O2S — CID 17217340

IUPAC5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCCN2CCOCC2)cs1
InChIInChI=1S/C13H20N2O2S/c1-2-12-9-11(10-18-12)13(16)14-3-4-15-5-7-17-8-6-15/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyBMLIRJZYQBYCCA-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.37
Rot. Bonds5

About 5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide

5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide (PubChem CID 17217340) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
PubChem CID17217340
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCCN2CCOCC2)cs1
InChIInChI=1S/C13H20N2O2S/c1-2-12-9-11(10-18-12)13(16)14-3-4-15-5-7-17-8-6-15/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyBMLIRJZYQBYCCA-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide (CID 17217340) is 5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide is CCc1cc(C(=O)NCCN2CCOCC2)cs1.
What is the InChIKey of 5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?
The InChIKey is BMLIRJZYQBYCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-12-9-11(10-18-12)13(16)14-3-4-15-5-7-17-8-6-15/h9-10H,2-8H2,1H3,(H,14,16).
What are the key properties of 5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?
5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 17217340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).