N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide

C11H16N2O2S — CID 47017211

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1ccsc1
InChIInChI=1S/C11H16N2O2S/c1-3-12-10(14)7-13(4-2)11(15)9-5-6-16-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyHCGQYNRCDFQQJI-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.35
Rot. Bonds5

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

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 47017211) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide
PubChem CID47017211
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1ccsc1
InChIInChI=1S/C11H16N2O2S/c1-3-12-10(14)7-13(4-2)11(15)9-5-6-16-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyHCGQYNRCDFQQJI-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide (CID 47017211) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide is CCNC(=O)CN(CC)C(=O)c1ccsc1.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is HCGQYNRCDFQQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-12-10(14)7-13(4-2)11(15)9-5-6-16-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 47017211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).