5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C14H15NO5S2 — CID 56796394

IUPAC5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCCOc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c1
InChIInChI=1S/C14H15NO5S2/c1-3-20-11-6-4-5-10(8-11)15-22(18,19)12-7-9(2)13(21-12)14(16)17/h4-8,15H,3H2,1-2H3,(H,16,17)
InChIKeyUGGTVUKAODDCBE-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.95
Rot. Bonds6

About 5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 56796394) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID56796394
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC Name5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCCOc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c1
InChIInChI=1S/C14H15NO5S2/c1-3-20-11-6-4-5-10(8-11)15-22(18,19)12-7-9(2)13(21-12)14(16)17/h4-8,15H,3H2,1-2H3,(H,16,17)
InChIKeyUGGTVUKAODDCBE-UHFFFAOYSA-N
XLogP2.95
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
CID 80578716
3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 112826032
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
3-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115560
5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311160
3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51121366
5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
CID 136540449
3-methyl-5-[(4-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43311197
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106012185
5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39843156
5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 56796394) is 5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is CCOc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c1.
What is the InChIKey of 5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is UGGTVUKAODDCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-3-20-11-6-4-5-10(8-11)15-22(18,19)12-7-9(2)13(21-12)14(16)17/h4-8,15H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 56796394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).