2-(butylcarbamoylamino)thiophene-3-carboxylic acid

C10H14N2O3S — CID 28786050

IUPAC2-(butylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCCCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-2-3-5-11-10(15)12-8-7(9(13)14)4-6-16-8/h4,6H,2-3,5H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyBGCMTYFSMBJRQM-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.37
Rot. Bonds5

About 2-(butylcarbamoylamino)thiophene-3-carboxylic acid

2-(butylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 28786050) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(butylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(butylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID28786050
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(butylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCCCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-2-3-5-11-10(15)12-8-7(9(13)14)4-6-16-8/h4,6H,2-3,5H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyBGCMTYFSMBJRQM-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(butylcarbamoylamino)thiophene-3-carboxylic acid (CID 28786050) is 2-(butylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(butylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(butylcarbamoylamino)thiophene-3-carboxylic acid is CCCCNC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(butylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is BGCMTYFSMBJRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-3-5-11-10(15)12-8-7(9(13)14)4-6-16-8/h4,6H,2-3,5H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(butylcarbamoylamino)thiophene-3-carboxylic acid?
2-(butylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 28786050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).