2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid

C11H16N2O3S — CID 63113991

IUPAC2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCCN(CC)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-3-6-13(4-2)11(16)12-9-8(10(14)15)5-7-17-9/h5,7H,3-4,6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyMEHHFIGTPCWKKX-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.71
Rot. Bonds5

About 2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63113991) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63113991
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCCN(CC)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-3-6-13(4-2)11(16)12-9-8(10(14)15)5-7-17-9/h5,7H,3-4,6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyMEHHFIGTPCWKKX-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177506
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177894
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 107400010
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]thiophene-3-carboxylic acid
CID 63113877
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113966
2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114709
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114506
2-[3-(diethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 63113433
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 63113991) is 2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid is CCCN(CC)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is MEHHFIGTPCWKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-6-13(4-2)11(16)12-9-8(10(14)15)5-7-17-9/h5,7H,3-4,6H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63113991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).