2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid

C13H12N2O5S — CID 63114184

IUPAC2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCOc1ccc(NC(=O)Nc2sccc2C(=O)O)cc1O
InChIInChI=1S/C13H12N2O5S/c1-20-10-3-2-7(6-9(10)16)14-13(19)15-11-8(12(17)18)4-5-21-11/h2-6,16H,1H3,(H,17,18)(H2,14,15,19)
InChIKeyWYOBBRNORDUCRL-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.80
Rot. Bonds4

About 2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid

2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63114184) has the molecular formula C13H12N2O5S and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID63114184
Molecular FormulaC13H12N2O5S
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCOc1ccc(NC(=O)Nc2sccc2C(=O)O)cc1O
InChIInChI=1S/C13H12N2O5S/c1-20-10-3-2-7(6-9(10)16)14-13(19)15-11-8(12(17)18)4-5-21-11/h2-6,16H,1H3,(H,17,18)(H2,14,15,19)
InChIKeyWYOBBRNORDUCRL-UHFFFAOYSA-N
XLogP2.80
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 43515064
2-[(3-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113495
2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 59767724
2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81118004
phenyl N-(3-hydroxy-4-methoxyphenyl)carbamate
CID 60637496
2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid
CID 83235309
2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113888
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301287
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114163
2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63114798

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid (CID 63114184) is 2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid is COc1ccc(NC(=O)Nc2sccc2C(=O)O)cc1O.
What is the InChIKey of 2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is WYOBBRNORDUCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-20-10-3-2-7(6-9(10)16)14-13(19)15-11-8(12(17)18)4-5-21-11/h2-6,16H,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 308.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).