2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid

C14H14N2O4S — CID 63114798

IUPAC2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
SMILESCOc1ccccc1N(C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-16(10-5-3-4-6-11(10)20-2)14(19)15-12-9(13(17)18)7-8-21-12/h3-8H,1-2H3,(H,15,19)(H,17,18)
InChIKeyFXCLTWJCEUPWEO-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.12
Rot. Bonds4

About 2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid

2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114798) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63114798
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
SMILESCOc1ccccc1N(C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-16(10-5-3-4-6-11(10)20-2)14(19)15-12-9(13(17)18)7-8-21-12/h3-8H,1-2H3,(H,15,19)(H,17,18)
InChIKeyFXCLTWJCEUPWEO-UHFFFAOYSA-N
XLogP3.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114407
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114506
2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991
2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid
CID 66355662
2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114709
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113966
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea
CID 62003425
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
2-benzamidothiophene-3-carboxylic acid
CID 16639461

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid (CID 63114798) is 2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid is COc1ccccc1N(C)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is FXCLTWJCEUPWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-16(10-5-3-4-6-11(10)20-2)14(19)15-12-9(13(17)18)7-8-21-12/h3-8H,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).