2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate

C16H17N2O5S2- — CID 6968672

IUPAC2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C16H18N2O5S2/c1-3-18(4-2)25(22,23)11-9-14(24-10-11)15(19)17-13-8-6-5-7-12(13)16(20)21/h5-10H,3-4H2,1-2H3,(H,17,19)(H,20,21)/p-1
InChIKeyRQANCGWWLBZBFD-UHFFFAOYSA-M
MW381.46 g/mol
LogP1.39
Rot. Bonds7

About 2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate

2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate (PubChem CID 6968672) has the molecular formula C16H17N2O5S2- and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Name2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate
PubChem CID6968672
Molecular FormulaC16H17N2O5S2-
Molecular Weight381.46 g/mol
Exact Mass381.06
IUPAC Name2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C16H18N2O5S2/c1-3-18(4-2)25(22,23)11-9-14(24-10-11)15(19)17-13-8-6-5-7-12(13)16(20)21/h5-10H,3-4H2,1-2H3,(H,17,19)(H,20,21)/p-1
InChIKeyRQANCGWWLBZBFD-UHFFFAOYSA-M
XLogP1.39
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide
CID 6503203
4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide
CID 2907877
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-methoxyphenyl)thiophene-2-carboxamide
CID 6503057
2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6504079
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide
CID 26515577

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate?
The IUPAC name of 2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate (CID 6968672) is 2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate.
What is the SMILES notation for 2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate?
The canonical SMILES for 2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate is CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)[O-])c1.
What is the InChIKey of 2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate?
The InChIKey is RQANCGWWLBZBFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18N2O5S2/c1-3-18(4-2)25(22,23)11-9-14(24-10-11)15(19)17-13-8-6-5-7-12(13)16(20)21/h5-10H,3-4H2,1-2H3,(H,17,19)(H,20,21)/p-1.
What are the key properties of 2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate?
2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate has a molecular weight of 381.46 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate is sourced from PubChem (CID 6968672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).