N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C17H16N4O3S3 — CID 4881259

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nncs2)c1
InChIInChI=1S/C17H16N4O3S3/c1-21(14-7-3-2-4-8-14)27(23,24)15-9-5-6-13(10-15)19-16(22)11-25-17-20-18-12-26-17/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyWKGKHUHPTIXGTK-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.09
Rot. Bonds7

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 4881259) has the molecular formula C17H16N4O3S3 and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID4881259
Molecular FormulaC17H16N4O3S3
Molecular Weight420.54 g/mol
Exact Mass420.04
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nncs2)c1
InChIInChI=1S/C17H16N4O3S3/c1-21(14-7-3-2-4-8-14)27(23,24)15-9-5-6-13(10-15)19-16(22)11-25-17-20-18-12-26-17/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyWKGKHUHPTIXGTK-UHFFFAOYSA-N
XLogP3.09
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide
CID 3946151
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4965392
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 5108547
2-((1,3,4-Thiadiazol-2-yl)thio)-N-(5-(N,N-dimethylsulfamoyl)-2-methylphenyl)acetamide
CID 9114980
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 15945356
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 24982991
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3980077
2-(5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-N-[4-(piperidine-1-sulfonyl)-phenyl]-propionamide
CID 646953
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2507451
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532393
N-(4-Cyclohexylsulfamoyl-phenyl)-2-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propionamide
CID 3221364
2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 4323030

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 4881259) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nncs2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is WKGKHUHPTIXGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S3/c1-21(14-7-3-2-4-8-14)27(23,24)15-9-5-6-13(10-15)19-16(22)11-25-17-20-18-12-26-17/h2-10,12H,11H2,1H3,(H,19,22).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 420.54 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 4881259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).