(3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate

C16H19NO4S2 — CID 6503161

IUPAC(3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate
SMILESCCN(C)S(=O)(=O)c1csc(C(=O)Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H19NO4S2/c1-5-17(4)23(19,20)14-9-15(22-10-14)16(18)21-13-7-6-11(2)12(3)8-13/h6-10H,5H2,1-4H3
InChIKeyZSBYJFPTJJQUFP-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.22
Rot. Bonds5

About (3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate

(3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 6503161) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Name(3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID6503161
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Name(3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate
SMILESCCN(C)S(=O)(=O)c1csc(C(=O)Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H19NO4S2/c1-5-17(4)23(19,20)14-9-15(22-10-14)16(18)21-13-7-6-11(2)12(3)8-13/h6-10H,5H2,1-4H3
InChIKeyZSBYJFPTJJQUFP-UHFFFAOYSA-N
XLogP3.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate 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-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
ethyl 4-[[4-[ethyl(methyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoate
CID 6503175
(4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 6503673
(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2683510
4-[ethyl(methyl)sulfamoyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 6503172
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
(3,4-dimethylphenyl) 4-methylsulfonylbenzoate
CID 2671374
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
4-[ethyl(methyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6503155
4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
CID 6486033
2-(3,4-dimethylphenoxy)carbonyl-4,5-dimethylbenzenesulfonic acid
CID 170012568

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of (3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate (CID 6503161) is (3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for (3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for (3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate is CCN(C)S(=O)(=O)c1csc(C(=O)Oc2ccc(C)c(C)c2)c1.
What is the InChIKey of (3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is ZSBYJFPTJJQUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-5-17(4)23(19,20)14-9-15(22-10-14)16(18)21-13-7-6-11(2)12(3)8-13/h6-10H,5H2,1-4H3.
What are the key properties of (3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
(3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 353.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 6503161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).