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

C18H18N4O3S2 — CID 1262875

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-22(2)27(24,25)15-10-8-14(9-11-15)17(23)19-18-21-20-16(26-18)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,21,23)
InChIKeyMIKJAFBJPCTOKL-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.63
Rot. Bonds6

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 1262875) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
PubChem CID1262875
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-22(2)27(24,25)15-10-8-14(9-11-15)17(23)19-18-21-20-16(26-18)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,21,23)
InChIKeyMIKJAFBJPCTOKL-UHFFFAOYSA-N
XLogP2.63
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide (CID 1262875) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is MIKJAFBJPCTOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-22(2)27(24,25)15-10-8-14(9-11-15)17(23)19-18-21-20-16(26-18)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,21,23).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 402.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 1262875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).