4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid

C9H12N2O5S2 — CID 43627362

IUPAC4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid
SMILESNC(=O)c1ccsc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H12N2O5S2/c10-8(14)6-3-4-17-9(6)11-18(15,16)5-1-2-7(12)13/h3-4,11H,1-2,5H2,(H2,10,14)(H,12,13)
InChIKeyPIQNWVJRJURCJB-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.45
Rot. Bonds7

About 4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid

4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid (PubChem CID 43627362) has the molecular formula C9H12N2O5S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid
PubChem CID43627362
Molecular FormulaC9H12N2O5S2
Molecular Weight292.34 g/mol
Exact Mass292.02
IUPAC Name4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid
SMILESNC(=O)c1ccsc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H12N2O5S2/c10-8(14)6-3-4-17-9(6)11-18(15,16)5-1-2-7(12)13/h3-4,11H,1-2,5H2,(H2,10,14)(H,12,13)
InChIKeyPIQNWVJRJURCJB-UHFFFAOYSA-N
XLogP0.45
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid (CID 43627362) is 4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid is NC(=O)c1ccsc1NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid?
The InChIKey is PIQNWVJRJURCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S2/c10-8(14)6-3-4-17-9(6)11-18(15,16)5-1-2-7(12)13/h3-4,11H,1-2,5H2,(H2,10,14)(H,12,13).
What are the key properties of 4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid?
4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid has a molecular weight of 292.34 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carbamoylthiophen-2-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43627362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).