ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate

C14H21NO3S — CID 54898816

IUPACethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccc(CC)s1
InChIInChI=1S/C14H21NO3S/c1-4-9-15(10-13(16)18-6-3)14(17)12-8-7-11(5-2)19-12/h7-8H,4-6,9-10H2,1-3H3
InChIKeyIQFXDKAWFUZMIY-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.73
Rot. Bonds7

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

ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate (PubChem CID 54898816) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate
PubChem CID54898816
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccc(CC)s1
InChIInChI=1S/C14H21NO3S/c1-4-9-15(10-13(16)18-6-3)14(17)12-8-7-11(5-2)19-12/h7-8H,4-6,9-10H2,1-3H3
InChIKeyIQFXDKAWFUZMIY-UHFFFAOYSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78968119
ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate
CID 106853797
ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate
CID 79465658
2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid
CID 61021518
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904
ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 54898758
ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate
CID 61008042
ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propylamino]acetate
CID 54898620
ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240
2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258299
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate (CID 54898816) is ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)c1ccc(CC)s1.
What is the InChIKey of ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate?
The InChIKey is IQFXDKAWFUZMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-9-15(10-13(16)18-6-3)14(17)12-8-7-11(5-2)19-12/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate?
ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate has a molecular weight of 283.39 g/mol, XLogP of 2.73, 7 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)-propylamino]acetate is sourced from PubChem (CID 54898816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).