methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate

C14H15NO5S2 — CID 16831992

IUPACmethyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCCOc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1
InChIInChI=1S/C14H15NO5S2/c1-3-20-11-6-4-10(5-7-11)15-22(17,18)12-8-9-21-13(12)14(16)19-2/h4-9,15H,3H2,1-2H3
InChIKeyUUEWQHGEJPRMBQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.73
Rot. Bonds6

About methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 16831992) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID16831992
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC Namemethyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCCOc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1
InChIInChI=1S/C14H15NO5S2/c1-3-20-11-6-4-10(5-7-11)15-22(17,18)12-8-9-21-13(12)14(16)19-2/h4-9,15H,3H2,1-2H3
InChIKeyUUEWQHGEJPRMBQ-UHFFFAOYSA-N
XLogP2.73
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 5163836
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 3783614
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[4-(4-ethoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 3796308
methyl 5-bromo-2-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 55353268
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-(2-ethoxypropanoylsulfamoyl)thiophene-2-carboxylate
CID 71892320
methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate
CID 154755350

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate (CID 16831992) is methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate is CCOc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1.
What is the InChIKey of methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is UUEWQHGEJPRMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-3-20-11-6-4-10(5-7-11)15-22(17,18)12-8-9-21-13(12)14(16)19-2/h4-9,15H,3H2,1-2H3.
What are the key properties of methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 16831992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).