3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C14H17N3O3S2 — CID 24660465

IUPAC3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)/N=c2/sccn2C)cc(C)c1C
InChIInChI=1S/C14H17N3O3S2/c1-9-7-11(8-12(10(9)2)22(19,20)15-3)13(18)16-14-17(4)5-6-21-14/h5-8,15H,1-4H3/b16-14+
InChIKeyXAZPDHFDDSLVIP-JQIJEIRASA-N
MW339.44 g/mol
LogP1.35
Rot. Bonds3

About 3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 24660465) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID24660465
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)/N=c2/sccn2C)cc(C)c1C
InChIInChI=1S/C14H17N3O3S2/c1-9-7-11(8-12(10(9)2)22(19,20)15-3)13(18)16-14-17(4)5-6-21-14/h5-8,15H,1-4H3/b16-14+
InChIKeyXAZPDHFDDSLVIP-JQIJEIRASA-N
XLogP1.35
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 24660465) is 3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is CNS(=O)(=O)c1cc(C(=O)/N=c2/sccn2C)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is XAZPDHFDDSLVIP-JQIJEIRASA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-9-7-11(8-12(10(9)2)22(19,20)15-3)13(18)16-14-17(4)5-6-21-14/h5-8,15H,1-4H3/b16-14+.
What are the key properties of 3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 339.44 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 24660465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).