2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid

C12H9IN2O3S — CID 55179434

IUPAC2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(Nc1ccccc1I)Nc1sccc1C(=O)O
InChIInChI=1S/C12H9IN2O3S/c13-8-3-1-2-4-9(8)14-12(18)15-10-7(11(16)17)5-6-19-10/h1-6H,(H,16,17)(H2,14,15,18)
InChIKeyFZAPRACNKZYEER-UHFFFAOYSA-N
MW388.19 g/mol
LogP3.69
Rot. Bonds3

About 2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid

2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 55179434) has the molecular formula C12H9IN2O3S and a molecular weight of 388.19 g/mol. Its IUPAC name is 2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID55179434
Molecular FormulaC12H9IN2O3S
Molecular Weight388.19 g/mol
Exact Mass387.94
IUPAC Name2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(Nc1ccccc1I)Nc1sccc1C(=O)O
InChIInChI=1S/C12H9IN2O3S/c13-8-3-1-2-4-9(8)14-12(18)15-10-7(11(16)17)5-6-19-10/h1-6H,(H,16,17)(H2,14,15,18)
InChIKeyFZAPRACNKZYEER-UHFFFAOYSA-N
XLogP3.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.19
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 16771814
2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113551
2-[(2,3,4-trifluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113570
2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 59767724
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 102854176
2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113787
2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114163
2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid
CID 61186270
2-[(4-bromo-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113553
2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113969
2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 102806241

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid (CID 55179434) is 2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid is O=C(Nc1ccccc1I)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is FZAPRACNKZYEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O3S/c13-8-3-1-2-4-9(8)14-12(18)15-10-7(11(16)17)5-6-19-10/h1-6H,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 388.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 55179434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).