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

C11H15N3O4S — CID 55177506

IUPAC2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H15N3O4S/c1-3-14(6-8(15)12-2)11(18)13-9-7(10(16)17)4-5-19-9/h4-5H,3,6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyKMPKVFFSEHSTPB-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.05
Rot. Bonds5

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

2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 55177506) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID55177506
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H15N3O4S/c1-3-14(6-8(15)12-2)11(18)13-9-7(10(16)17)4-5-19-9/h4-5H,3,6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyKMPKVFFSEHSTPB-UHFFFAOYSA-N
XLogP1.05
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[ethyl-[2-(methylamino)-2-oxoethyl]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-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 107400010
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177894
4-bromo-2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]benzoic acid
CID 61449996
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 167926285
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113966
2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]thiophene-3-carboxylic acid
CID 63113877
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-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid (CID 55177506) is 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid is CCN(CC(=O)NC)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is KMPKVFFSEHSTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-3-14(6-8(15)12-2)11(18)13-9-7(10(16)17)4-5-19-9/h4-5H,3,6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 55177506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).