2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid

C11H16N2O4S — CID 63114506

IUPAC2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCOCCCN(C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-13(5-3-6-17-2)11(16)12-9-8(10(14)15)4-7-18-9/h4,7H,3,5-6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGOWUUTISNOPNHS-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.95
Rot. Bonds6

About 2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114506) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63114506
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCOCCCN(C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-13(5-3-6-17-2)11(16)12-9-8(10(14)15)4-7-18-9/h4,7H,3,5-6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyGOWUUTISNOPNHS-UHFFFAOYSA-N
XLogP1.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114576
2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114405
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
2-hydroxy-4-[[3-methoxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62997586
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
4-fluoro-2-[[3-methoxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62994916
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 63114506) is 2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid is COCCCN(C)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is GOWUUTISNOPNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-13(5-3-6-17-2)11(16)12-9-8(10(14)15)4-7-18-9/h4,7H,3,5-6H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).