N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

C23H26N4O3S2 — CID 27296965

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CCCCC4)s3)c2)cc1
InChIInChI=1S/C23H26N4O3S2/c1-16-11-13-19(14-12-16)27(2)32(29,30)20-10-6-9-18(15-20)21(28)24-23-26-25-22(31-23)17-7-4-3-5-8-17/h6,9-15,17H,3-5,7-8H2,1-2H3,(H,24,26,28)
InChIKeyVQVIXOOKMGTTHI-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.97
Rot. Bonds6

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 27296965) has the molecular formula C23H26N4O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
PubChem CID27296965
Molecular FormulaC23H26N4O3S2
Molecular Weight470.62 g/mol
Exact Mass470.14
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CCCCC4)s3)c2)cc1
InChIInChI=1S/C23H26N4O3S2/c1-16-11-13-19(14-12-16)27(2)32(29,30)20-10-6-9-18(15-20)21(28)24-23-26-25-22(31-23)17-7-4-3-5-8-17/h6,9-15,17H,3-5,7-8H2,1-2H3,(H,24,26,28)
InChIKeyVQVIXOOKMGTTHI-UHFFFAOYSA-N
XLogP4.97
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24647505
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369730
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2119551
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 16572020
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfamoyl]benzamide
CID 4626175
3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2641462
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 3163430
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385924
N-methyl-N-(4-methylphenyl)-3-[(pyridine-4-carbonylamino)carbamoyl]benzenesulfonamide
CID 25163438

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (CID 27296965) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CCCCC4)s3)c2)cc1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is VQVIXOOKMGTTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S2/c1-16-11-13-19(14-12-16)27(2)32(29,30)20-10-6-9-18(15-20)21(28)24-23-26-25-22(31-23)17-7-4-3-5-8-17/h6,9-15,17H,3-5,7-8H2,1-2H3,(H,24,26,28).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 470.62 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27296965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).