4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

C11H13N3O3S3 — CID 6502656

IUPAC4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2nccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H13N3O3S3/c1-7-9(20(16,17)14(2)3)6-8(19-7)10(15)13-11-12-4-5-18-11/h4-6H,1-3H3,(H,12,13,15)
InChIKeyYOAJNEUCWIUUND-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.02
Rot. Bonds4

About 4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 6502656) has the molecular formula C11H13N3O3S3 and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID6502656
Molecular FormulaC11H13N3O3S3
Molecular Weight331.44 g/mol
Exact Mass331.01
IUPAC Name4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2nccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H13N3O3S3/c1-7-9(20(16,17)14(2)3)6-8(19-7)10(15)13-11-12-4-5-18-11/h4-6H,1-3H3,(H,12,13,15)
InChIKeyYOAJNEUCWIUUND-UHFFFAOYSA-N
XLogP2.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 6502656) is 4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is Cc1sc(C(=O)Nc2nccs2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is YOAJNEUCWIUUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S3/c1-7-9(20(16,17)14(2)3)6-8(19-7)10(15)13-11-12-4-5-18-11/h4-6H,1-3H3,(H,12,13,15).
What are the key properties of 4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6502656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).