4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide

C15H18N2O4S2 — CID 6503203

IUPAC4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2O)c1
InChIInChI=1S/C15H18N2O4S2/c1-3-17(4-2)23(20,21)11-9-14(22-10-11)15(19)16-12-7-5-6-8-13(12)18/h5-10,18H,3-4H2,1-2H3,(H,16,19)
InChIKeyXFCSABMHEBSJBK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.74
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide

4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide (PubChem CID 6503203) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide
PubChem CID6503203
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2O)c1
InChIInChI=1S/C15H18N2O4S2/c1-3-17(4-2)23(20,21)11-9-14(22-10-11)15(19)16-12-7-5-6-8-13(12)18/h5-10,18H,3-4H2,1-2H3,(H,16,19)
InChIKeyXFCSABMHEBSJBK-UHFFFAOYSA-N
XLogP2.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate
CID 6968672
4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide
CID 2907877
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
N-(4-acetylphenyl)-4-(diethylsulfamoyl)thiophene-2-carboxamide
CID 6503218
4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503193
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6503209
4-(dimethylsulfamoyl)-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6503064
4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503197
4-(dimethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide
CID 6503102
4-(dimethylsulfamoyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 6503057
4-[methyl-(3-methylphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6503694

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide (CID 6503203) is 4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2O)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide?
The InChIKey is XFCSABMHEBSJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-3-17(4-2)23(20,21)11-9-14(22-10-11)15(19)16-12-7-5-6-8-13(12)18/h5-10,18H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide?
4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 6503203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).