N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide

C11H18N2OS — CID 1247079

IUPACN-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCCN(C)C)cs1
InChIInChI=1S/C11H18N2OS/c1-4-10-7-9(8-15-10)11(14)12-5-6-13(2)3/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyJPXGZIIJPQMVDS-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.60
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide (PubChem CID 1247079) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide
PubChem CID1247079
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCCN(C)C)cs1
InChIInChI=1S/C11H18N2OS/c1-4-10-7-9(8-15-10)11(14)12-5-6-13(2)3/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyJPXGZIIJPQMVDS-UHFFFAOYSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide (CID 1247079) is N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide is CCc1cc(C(=O)NCCN(C)C)cs1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide?
The InChIKey is JPXGZIIJPQMVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-10-7-9(8-15-10)11(14)12-5-6-13(2)3/h7-8H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide has a molecular weight of 226.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-ethylthiophene-3-carboxamide is sourced from PubChem (CID 1247079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).