4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid

C14H15NO5S2 — CID 138043382

IUPAC4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NS(=O)(=O)CCc1cccs1
InChIInChI=1S/C14H15NO5S2/c1-20-13-5-4-10(14(16)17)9-12(13)15-22(18,19)8-6-11-3-2-7-21-11/h2-5,7,9,15H,6,8H2,1H3,(H,16,17)
InChIKeyAJABLCYNZZSUHO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.44
Rot. Bonds7

About 4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid

4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid (PubChem CID 138043382) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid
PubChem CID138043382
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC Name4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NS(=O)(=O)CCc1cccs1
InChIInChI=1S/C14H15NO5S2/c1-20-13-5-4-10(14(16)17)9-12(13)15-22(18,19)8-6-11-3-2-7-21-11/h2-5,7,9,15H,6,8H2,1H3,(H,16,17)
InChIKeyAJABLCYNZZSUHO-UHFFFAOYSA-N
XLogP2.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic 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-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63742917
3-[(3-amino-3-oxopropyl)sulfonylamino]-4-methoxybenzoic acid
CID 89455462
4-methoxy-3-(sulfomethylsulfonylamino)benzoic acid
CID 54432785
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
2-ethyl-4-(2-thiophen-2-ylethylsulfonylamino)benzoic acid
CID 166283115
3-methoxy-4-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 102694688
4-ethyl-3-(2-thiophen-2-ylethylsulfonyl)benzoic acid
CID 63775702
2-chloro-5-(2-thiophen-2-ylethylsulfonylamino)benzoic acid
CID 166221992
[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone
CID 75448638
3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016
4-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)benzoic acid
CID 114806155
4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 110675023

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid?
The IUPAC name of 4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid (CID 138043382) is 4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid?
The canonical SMILES for 4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid is COc1ccc(C(=O)O)cc1NS(=O)(=O)CCc1cccs1.
What is the InChIKey of 4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid?
The InChIKey is AJABLCYNZZSUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-20-13-5-4-10(14(16)17)9-12(13)15-22(18,19)8-6-11-3-2-7-21-11/h2-5,7,9,15H,6,8H2,1H3,(H,16,17).
What are the key properties of 4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid?
4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid is sourced from PubChem (CID 138043382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).