4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

C12H15N3O3S3 — CID 6503193

IUPAC4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C12H15N3O3S3/c1-3-15(4-2)21(17,18)9-7-10(20-8-9)11(16)14-12-13-5-6-19-12/h5-8H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyVZJJNDHICFIXOX-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.49
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 6503193) has the molecular formula C12H15N3O3S3 and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID6503193
Molecular FormulaC12H15N3O3S3
Molecular Weight345.47 g/mol
Exact Mass345.03
IUPAC Name4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C12H15N3O3S3/c1-3-15(4-2)21(17,18)9-7-10(20-8-9)11(16)14-12-13-5-6-19-12/h5-8H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyVZJJNDHICFIXOX-UHFFFAOYSA-N
XLogP2.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503197
4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide
CID 6503203
N-(4-acetylphenyl)-4-(diethylsulfamoyl)thiophene-2-carboxamide
CID 6503218
4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503287
2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate
CID 6968672
4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide
CID 2907877
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6502656
4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295292
N-(1,3-thiazol-2-yl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690073
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503814

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 6503193) is 4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is VZJJNDHICFIXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S3/c1-3-15(4-2)21(17,18)9-7-10(20-8-9)11(16)14-12-13-5-6-19-12/h5-8H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6503193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).