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

C17H19NO6S — CID 1082731

IUPAC5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C17H19NO6S/c1-5-10-8-11(17(20)21)16(25-10)18-15(19)9-6-12(22-2)14(24-4)13(7-9)23-3/h6-8H,5H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyJNFAYUSWFNGZDK-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.29
Rot. Bonds7

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

5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 1082731) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID1082731
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Name5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C17H19NO6S/c1-5-10-8-11(17(20)21)16(25-10)18-15(19)9-6-12(22-2)14(24-4)13(7-9)23-3/h6-8H,5H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyJNFAYUSWFNGZDK-UHFFFAOYSA-N
XLogP3.29
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid (CID 1082731) is 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1.
What is the InChIKey of 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is JNFAYUSWFNGZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-5-10-8-11(17(20)21)16(25-10)18-15(19)9-6-12(22-2)14(24-4)13(7-9)23-3/h6-8H,5H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid?
5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 365.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 1082731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).