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

C20H20N4O3S2 — CID 2669938

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1
InChIInChI=1S/C20H20N4O3S2/c1-13-6-10-16(11-7-13)24(2)29(26,27)17-5-3-4-15(12-17)18(25)21-20-23-22-19(28-20)14-8-9-14/h3-7,10-12,14H,8-9H2,1-2H3,(H,21,23,25)
InChIKeyWJBMCCTUCXAWDQ-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.80
Rot. Bonds6

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 2669938) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
PubChem CID2669938
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1
InChIInChI=1S/C20H20N4O3S2/c1-13-6-10-16(11-7-13)24(2)29(26,27)17-5-3-4-15(12-17)18(25)21-20-23-22-19(28-20)14-8-9-14/h3-7,10-12,14H,8-9H2,1-2H3,(H,21,23,25)
InChIKeyWJBMCCTUCXAWDQ-UHFFFAOYSA-N
XLogP3.80
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1309961
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(dimethylamino)benzamide
CID 2116125
N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
CID 1615340
4-{[(cinnamoylamino)carbothioyl]amino}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 1822015
4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2210290
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(dimethylamino)sulfonyl]benzamide
CID 1262875
4-bromo-N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1851787
N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)-4-fluorobenzamide
CID 1946732
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-(N-methyl-N-phenylsulfamoyl)benzamide
CID 2051141
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2094245
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 2161611
4-(diethylsulfamoyl)-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 2384970

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (CID 2669938) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is WJBMCCTUCXAWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-13-6-10-16(11-7-13)24(2)29(26,27)17-5-3-4-15(12-17)18(25)21-20-23-22-19(28-20)14-8-9-14/h3-7,10-12,14H,8-9H2,1-2H3,(H,21,23,25).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 428.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2669938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).