5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid

C10H13NO6S2 — CID 61459443

IUPAC5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCCOC(=O)CCS(=O)(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO6S2/c1-2-17-9(12)5-6-19(15,16)11-8-4-3-7(18-8)10(13)14/h3-4,11H,2,5-6H2,1H3,(H,13,14)
InChIKeyCUDFLOFWBIGZSB-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.14
Rot. Bonds7

About 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid

5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 61459443) has the molecular formula C10H13NO6S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID61459443
Molecular FormulaC10H13NO6S2
Molecular Weight307.35 g/mol
Exact Mass307.02
IUPAC Name5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCCOC(=O)CCS(=O)(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO6S2/c1-2-17-9(12)5-6-19(15,16)11-8-4-3-7(18-8)10(13)14/h3-4,11H,2,5-6H2,1H3,(H,13,14)
InChIKeyCUDFLOFWBIGZSB-UHFFFAOYSA-N
XLogP1.14
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-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

4-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-hydroxybenzoic acid
CID 61459053
ethyl 3-[(4-hydroxyphenyl)sulfamoyl]propanoate
CID 54951576
ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate
CID 54951727
5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-methylbenzoic acid
CID 63653859
3-[(3-ethoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527880
2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-5-hydroxybenzoic acid
CID 61458893
ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 60675302
5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 61459092
ethyl 3-[(2-amino-4,5-dimethylphenyl)sulfamoyl]propanoate
CID 62099108
ethyl 3-[(3-amino-4-ethylphenyl)sulfamoyl]propanoate
CID 61459123
ethyl 3-[(3-amino-2,6-dimethylphenyl)sulfamoyl]propanoate
CID 61459319
methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 114916450

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid (CID 61459443) is 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid is CCOC(=O)CCS(=O)(=O)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is CUDFLOFWBIGZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S2/c1-2-17-9(12)5-6-19(15,16)11-8-4-3-7(18-8)10(13)14/h3-4,11H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid?
5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 61459443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).