ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate

C14H21NO3S — CID 51120526

IUPACethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(CC)s1)C(C)C
InChIInChI=1S/C14H21NO3S/c1-5-11-7-8-12(19-11)14(17)15(10(3)4)9-13(16)18-6-2/h7-8,10H,5-6,9H2,1-4H3
InChIKeyKNRMZBJRGFZEIU-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.72
Rot. Bonds6

About ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate

ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate (PubChem CID 51120526) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate
PubChem CID51120526
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(CC)s1)C(C)C
InChIInChI=1S/C14H21NO3S/c1-5-11-7-8-12(19-11)14(17)15(10(3)4)9-13(16)18-6-2/h7-8,10H,5-6,9H2,1-4H3
InChIKeyKNRMZBJRGFZEIU-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate (CID 51120526) is ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1ccc(CC)s1)C(C)C.
What is the InChIKey of ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is KNRMZBJRGFZEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-11-7-8-12(19-11)14(17)15(10(3)4)9-13(16)18-6-2/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate?
ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 283.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethylthiophene-2-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 51120526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).