2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid

C13H20N2O4S — CID 63114330

IUPAC2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCOCC(C)N(C)C(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-7(6-19-5)15(4)13(18)14-11-10(12(16)17)8(2)9(3)20-11/h7H,6H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyCXRCLJUTYKBIDT-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.56
Rot. Bonds5

About 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 63114330) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID63114330
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCOCC(C)N(C)C(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-7(6-19-5)15(4)13(18)14-11-10(12(16)17)8(2)9(3)20-11/h7H,6H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyCXRCLJUTYKBIDT-UHFFFAOYSA-N
XLogP2.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63228223
2-[[butan-2-yl(ethyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114046
2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 65048117
2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114662
2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777210
3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122078614
2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63113507
2-[(3-hydroxy-4-methoxybutyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 106248370
2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 43356725
4,5-dimethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylic acid
CID 114873583
4,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 63858985
4,5-dimethyl-2-(2-methylpentan-3-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114188

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 63114330) is 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is COCC(C)N(C)C(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is CXRCLJUTYKBIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-7(6-19-5)15(4)13(18)14-11-10(12(16)17)8(2)9(3)20-11/h7H,6H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 63114330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).