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

C17H15N3O3S2 — CID 30581833

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1
InChIInChI=1S/C17H15N3O3S2/c1-25(22,23)14-9-5-8-13(11-14)16(21)18-17-20-19-15(24-17)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,20,21)
InChIKeyHMDVFAFJWPOYOS-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.78
Rot. Bonds5

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide (PubChem CID 30581833) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
PubChem CID30581833
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1
InChIInChI=1S/C17H15N3O3S2/c1-25(22,23)14-9-5-8-13(11-14)16(21)18-17-20-19-15(24-17)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,20,21)
InChIKeyHMDVFAFJWPOYOS-UHFFFAOYSA-N
XLogP2.78
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
CID 1303655
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide
CID 18189580
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
3-benzamido-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1302353
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-iodobenzamide
CID 38903577
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
3-benzamido-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide;hydrochloride
CID 163329002
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4800720
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-bromopyridine-3-carboxamide
CID 18075084
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide (CID 30581833) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide?
The InChIKey is HMDVFAFJWPOYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-25(22,23)14-9-5-8-13(11-14)16(21)18-17-20-19-15(24-17)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,20,21).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 2.78, 5 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)-3-methylsulfonylbenzamide is sourced from PubChem (CID 30581833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).