3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide

C12H20N2OS — CID 62658051

IUPAC3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
SMILESCCCNCCNC(=O)c1sccc1CC
InChIInChI=1S/C12H20N2OS/c1-3-6-13-7-8-14-12(15)11-10(4-2)5-9-16-11/h5,9,13H,3-4,6-8H2,1-2H3,(H,14,15)
InChIKeyDMMQFXWYKKWZFP-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.04
Rot. Bonds7

About 3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide

3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide (PubChem CID 62658051) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
PubChem CID62658051
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
SMILESCCCNCCNC(=O)c1sccc1CC
InChIInChI=1S/C12H20N2OS/c1-3-6-13-7-8-14-12(15)11-10(4-2)5-9-16-11/h5,9,13H,3-4,6-8H2,1-2H3,(H,14,15)
InChIKeyDMMQFXWYKKWZFP-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromohexyl)-3-ethylthiophene-2-carboxamide
CID 107847427
3-ethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115628193
4-[(3-ethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539115
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
2-[2-[(3-ethylthiophene-2-carbonyl)amino]ethoxy]acetic acid
CID 79457347
N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
CID 63237534
3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618465
N-(3-cyclopentylpropyl)-3-ethylthiophene-2-carboxamide
CID 55996333
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 115700346
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119505169
N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
CID 80506631

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide (CID 62658051) is 3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide is CCCNCCNC(=O)c1sccc1CC.
What is the InChIKey of 3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is DMMQFXWYKKWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-6-13-7-8-14-12(15)11-10(4-2)5-9-16-11/h5,9,13H,3-4,6-8H2,1-2H3,(H,14,15).
What are the key properties of 3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide?
3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 62658051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).