4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

C12H14N4O3S3 — CID 7095490

IUPAC4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCSc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1
InChIInChI=1S/C12H14N4O3S3/c1-16(2)22(18,19)9-6-4-8(5-7-9)10(17)13-11-14-15-12(20-3)21-11/h4-7H,1-3H3,(H,13,14,17)
InChIKeyPUMIUFUSJOVJKD-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.76
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 7095490) has the molecular formula C12H14N4O3S3 and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID7095490
Molecular FormulaC12H14N4O3S3
Molecular Weight358.47 g/mol
Exact Mass358.02
IUPAC Name4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCSc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1
InChIInChI=1S/C12H14N4O3S3/c1-16(2)22(18,19)9-6-4-8(5-7-9)10(17)13-11-14-15-12(20-3)21-11/h4-7H,1-3H3,(H,13,14,17)
InChIKeyPUMIUFUSJOVJKD-UHFFFAOYSA-N
XLogP1.76
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-Sulfamoyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 394898
N-[2-(diethylamino)ethyl]-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide
CID 9847197
4-tert-butyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
CID 11588141
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 1547913
4-piperidin-1-ylsulfonyl-N-(2H-tetrazol-5-yl)benzamide
CID 2360119
4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2444277
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 871615
4-Cyclohexylsulfamoyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 646755
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 739607
4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 745411
3-(diethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1117931
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(dimethylamino)sulfonyl]benzamide
CID 1262875

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CID 7095490) is 4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is PUMIUFUSJOVJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S3/c1-16(2)22(18,19)9-6-4-8(5-7-9)10(17)13-11-14-15-12(20-3)21-11/h4-7H,1-3H3,(H,13,14,17).
What are the key properties of 4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 358.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 7095490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).