4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid

C16H10FNO4S — CID 2059539

IUPAC4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2ccc(F)cc2)c1C(=O)O)c1ccco1
InChIInChI=1S/C16H10FNO4S/c17-10-5-3-9(4-6-10)11-8-23-15(13(11)16(20)21)18-14(19)12-2-1-7-22-12/h1-8H,(H,18,19)(H,20,21)
InChIKeyYBUUIBNBZXTVJK-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.10
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid

4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 2059539) has the molecular formula C16H10FNO4S and a molecular weight of 331.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid
PubChem CID2059539
Molecular FormulaC16H10FNO4S
Molecular Weight331.32 g/mol
Exact Mass331.03
IUPAC Name4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2ccc(F)cc2)c1C(=O)O)c1ccco1
InChIInChI=1S/C16H10FNO4S/c17-10-5-3-9(4-6-10)11-8-23-15(13(11)16(20)21)18-14(19)12-2-1-7-22-12/h1-8H,(H,18,19)(H,20,21)
InChIKeyYBUUIBNBZXTVJK-UHFFFAOYSA-N
XLogP4.10
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

6-t-Butyl-2-(furan-2-carboxamido)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylic acid
CID 2898877
2-[(5-Methylfuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 675357
N-(4-phenylthiophen-2-yl)furan-2-carboxamide
CID 699965
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylic acid
CID 742170
Methyl 2-(2-furylcarbonylamino)-5-methylthiophene-3-carboxylate
CID 1246438
6-Methyl-2-[(5-methyl-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 3534903
2-(Furan-2-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4346283
Isopropyl 2-(2-furoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 673536
2-(2-furoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 675359
Methyl 5-[(dimethylamino)carbonyl]-2-(2-furoylamino)-4-methyl-3-thiophenecarboxylate
CID 903699
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
CID 667938
2-[[2-furanyl(oxo)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
CID 718799

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid (CID 2059539) is 4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid is O=C(Nc1scc(-c2ccc(F)cc2)c1C(=O)O)c1ccco1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is YBUUIBNBZXTVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4S/c17-10-5-3-9(4-6-10)11-8-23-15(13(11)16(20)21)18-14(19)12-2-1-7-22-12/h1-8H,(H,18,19)(H,20,21).
What are the key properties of 4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid?
4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 331.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 2059539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).