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

C14H14N2O4S — CID 63114163

IUPAC2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2sccc2C(=O)O)c(C)c1O
InChIInChI=1S/C14H14N2O4S/c1-7-3-4-10(8(2)11(7)17)15-14(20)16-12-9(13(18)19)5-6-21-12/h3-6,17H,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyIKYBUKWMSRIBAL-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.41
Rot. Bonds3

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

2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63114163) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID63114163
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2sccc2C(=O)O)c(C)c1O
InChIInChI=1S/C14H14N2O4S/c1-7-3-4-10(8(2)11(7)17)15-14(20)16-12-9(13(18)19)5-6-21-12/h3-6,17H,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyIKYBUKWMSRIBAL-UHFFFAOYSA-N
XLogP3.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113551
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-[(3-chloro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 43515064
2-[(2,3,4-trifluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113570
2-[(3-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113495
2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 102806241
2-[(2-iodophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 55179434
2-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113787
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802577
2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 16771814

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid (CID 63114163) is 2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid is Cc1ccc(NC(=O)Nc2sccc2C(=O)O)c(C)c1O.
What is the InChIKey of 2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is IKYBUKWMSRIBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-7-3-4-10(8(2)11(7)17)15-14(20)16-12-9(13(18)19)5-6-21-12/h3-6,17H,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).