3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid

C13H15NO5S2 — CID 60952712

IUPAC3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C13H15NO5S2/c15-13(16)5-8-21(17,18)14(9-11-3-1-6-19-11)10-12-4-2-7-20-12/h1-4,6-7H,5,8-10H2,(H,15,16)
InChIKeyUCYWHVFQBJMIMM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.15
Rot. Bonds8

About 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid

3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid (PubChem CID 60952712) has the molecular formula C13H15NO5S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
PubChem CID60952712
Molecular FormulaC13H15NO5S2
Molecular Weight329.40 g/mol
Exact Mass329.04
IUPAC Name3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C13H15NO5S2/c15-13(16)5-8-21(17,18)14(9-11-3-1-6-19-11)10-12-4-2-7-20-12/h1-4,6-7H,5,8-10H2,(H,15,16)
InChIKeyUCYWHVFQBJMIMM-UHFFFAOYSA-N
XLogP2.15
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic 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

3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
CID 43526885
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
3-[butylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82326435
4-[[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 122021768
3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
CID 79019132
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid
CID 43526884
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid (CID 60952712) is 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid?
The InChIKey is UCYWHVFQBJMIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S2/c15-13(16)5-8-21(17,18)14(9-11-3-1-6-19-11)10-12-4-2-7-20-12/h1-4,6-7H,5,8-10H2,(H,15,16).
What are the key properties of 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid?
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60952712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).