3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid

C14H11NO4S — CID 43171735

IUPAC3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H11NO4S/c16-13(15-10-4-6-20-12(10)14(17)18)9-1-2-11-8(7-9)3-5-19-11/h1-2,4,6-7H,3,5H2,(H,15,16)(H,17,18)
InChIKeyIDWXGASSEDONJC-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.63
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid

3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid (PubChem CID 43171735) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid
PubChem CID43171735
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H11NO4S/c16-13(15-10-4-6-20-12(10)14(17)18)9-1-2-11-8(7-9)3-5-19-11/h1-2,4,6-7H,3,5H2,(H,15,16)(H,17,18)
InChIKeyIDWXGASSEDONJC-UHFFFAOYSA-N
XLogP2.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46583863
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103479981
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 104667397
2-[2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 43170587
N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55582875
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid (CID 43171735) is 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid is O=C(Nc1ccsc1C(=O)O)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid?
The InChIKey is IDWXGASSEDONJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c16-13(15-10-4-6-20-12(10)14(17)18)9-1-2-11-8(7-9)3-5-19-11/h1-2,4,6-7H,3,5H2,(H,15,16)(H,17,18).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid?
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 43171735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).