ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate

C18H21NO4S — CID 776596

IUPACethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COc1ccccc1C
InChIInChI=1S/C18H21NO4S/c1-4-13-10-14(18(21)22-5-2)17(24-13)19-16(20)11-23-15-9-7-6-8-12(15)3/h6-10H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyKQCJPBCYDYWBHO-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.81
Rot. Bonds7

About ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate (PubChem CID 776596) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
PubChem CID776596
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Nameethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)COc1ccccc1C
InChIInChI=1S/C18H21NO4S/c1-4-13-10-14(18(21)22-5-2)17(24-13)19-16(20)11-23-15-9-7-6-8-12(15)3/h6-10H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyKQCJPBCYDYWBHO-UHFFFAOYSA-N
XLogP3.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate (CID 776596) is ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccccc1C.
What is the InChIKey of ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is KQCJPBCYDYWBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-4-13-10-14(18(21)22-5-2)17(24-13)19-16(20)11-23-15-9-7-6-8-12(15)3/h6-10H,4-5,11H2,1-3H3,(H,19,20).
What are the key properties of ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 347.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 776596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).