4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid

C9H12N2O5S2 — CID 61072204

IUPAC4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(=O)NCCNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H12N2O5S2/c1-6(12)10-2-3-11-18(15,16)7-4-8(9(13)14)17-5-7/h4-5,11H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyWANFGLMQSIDHDM-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.14
Rot. Bonds6

About 4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid

4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61072204) has the molecular formula C9H12N2O5S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61072204
Molecular FormulaC9H12N2O5S2
Molecular Weight292.34 g/mol
Exact Mass292.02
IUPAC Name4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(=O)NCCNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H12N2O5S2/c1-6(12)10-2-3-11-18(15,16)7-4-8(9(13)14)17-5-7/h4-5,11H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyWANFGLMQSIDHDM-UHFFFAOYSA-N
XLogP-0.14
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid (CID 61072204) is 4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid is CC(=O)NCCNS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is WANFGLMQSIDHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S2/c1-6(12)10-2-3-11-18(15,16)7-4-8(9(13)14)17-5-7/h4-5,11H,2-3H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid?
4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61072204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).