5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide

C12H20N2O3S — CID 79614481

IUPAC5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
SMILESCCOC(CNCc1cc(C(N)=O)cs1)OCC
InChIInChI=1S/C12H20N2O3S/c1-3-16-11(17-4-2)7-14-6-10-5-9(8-18-10)12(13)15/h5,8,11,14H,3-4,6-7H2,1-2H3,(H2,13,15)
InChIKeyONJHQCMFFADJCX-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.34
Rot. Bonds9

About 5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide

5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide (PubChem CID 79614481) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
PubChem CID79614481
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
SMILESCCOC(CNCc1cc(C(N)=O)cs1)OCC
InChIInChI=1S/C12H20N2O3S/c1-3-16-11(17-4-2)7-14-6-10-5-9(8-18-10)12(13)15/h5,8,11,14H,3-4,6-7H2,1-2H3,(H2,13,15)
InChIKeyONJHQCMFFADJCX-UHFFFAOYSA-N
XLogP1.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide
CID 79614139
N-[(4-chlorothiophen-2-yl)methyl]-2,2-diethoxyethanamine
CID 79548478
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide
CID 104923448
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
CID 115735679
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
CID 115735466
ethyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79610647
5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide
CID 79613485

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide (CID 79614481) is 5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide is CCOC(CNCc1cc(C(N)=O)cs1)OCC.
What is the InChIKey of 5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide?
The InChIKey is ONJHQCMFFADJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-16-11(17-4-2)7-14-6-10-5-9(8-18-10)12(13)15/h5,8,11,14H,3-4,6-7H2,1-2H3,(H2,13,15).
What are the key properties of 5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide?
5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).