3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide

C13H20N2O2S — CID 49093407

IUPAC3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC1CN(C)CCO1
InChIInChI=1S/C13H20N2O2S/c1-3-10-4-7-18-12(10)13(16)14-8-11-9-15(2)5-6-17-11/h4,7,11H,3,5-6,8-9H2,1-2H3,(H,14,16)
InChIKeyQBZCIRFXCXLBKE-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.37
Rot. Bonds4

About 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide

3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 49093407) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID49093407
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC1CN(C)CCO1
InChIInChI=1S/C13H20N2O2S/c1-3-10-4-7-18-12(10)13(16)14-8-11-9-15(2)5-6-17-11/h4,7,11H,3,5-6,8-9H2,1-2H3,(H,14,16)
InChIKeyQBZCIRFXCXLBKE-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide (CID 49093407) is 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide is CCc1ccsc1C(=O)NCC1CN(C)CCO1.
What is the InChIKey of 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is QBZCIRFXCXLBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-10-4-7-18-12(10)13(16)14-8-11-9-15(2)5-6-17-11/h4,7,11H,3,5-6,8-9H2,1-2H3,(H,14,16).
What are the key properties of 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 49093407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).