ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate

C19H23NO6S — CID 1036292

IUPACethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H23NO6S/c1-6-12-10-13(19(22)26-7-2)18(27-12)20-17(21)11-8-14(23-3)16(25-5)15(9-11)24-4/h8-10H,6-7H2,1-5H3,(H,20,21)
InChIKeyNJAUWUHPIUZCDO-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.77
Rot. Bonds8

About ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate (PubChem CID 1036292) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
PubChem CID1036292
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Nameethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H23NO6S/c1-6-12-10-13(19(22)26-7-2)18(27-12)20-17(21)11-8-14(23-3)16(25-5)15(9-11)24-4/h8-10H,6-7H2,1-5H3,(H,20,21)
InChIKeyNJAUWUHPIUZCDO-UHFFFAOYSA-N
XLogP3.77
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate (CID 1036292) is ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is NJAUWUHPIUZCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-6-12-10-13(19(22)26-7-2)18(27-12)20-17(21)11-8-14(23-3)16(25-5)15(9-11)24-4/h8-10H,6-7H2,1-5H3,(H,20,21).
What are the key properties of ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 393.46 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1036292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).