4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide

C14H22N2O2S — CID 47168421

IUPAC4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)N2CCOCC2)sc1C
InChIInChI=1S/C14H22N2O2S/c1-10-8-13(19-12(10)3)14(17)15-9-11(2)16-4-6-18-7-5-16/h8,11H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyZTNCWZZDDNTVFE-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.82
Rot. Bonds4

About 4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide

4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 47168421) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
PubChem CID47168421
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)N2CCOCC2)sc1C
InChIInChI=1S/C14H22N2O2S/c1-10-8-13(19-12(10)3)14(17)15-9-11(2)16-4-6-18-7-5-16/h8,11H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyZTNCWZZDDNTVFE-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide (CID 47168421) is 4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCC(C)N2CCOCC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The InChIKey is ZTNCWZZDDNTVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-8-13(19-12(10)3)14(17)15-9-11(2)16-4-6-18-7-5-16/h8,11H,4-7,9H2,1-3H3,(H,15,17).
What are the key properties of 4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide?
4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 47168421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).