N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide

C18H17N3O4S — CID 9189372

IUPACN-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nnc(S(=O)(=O)Cc3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O4S/c1-13-6-5-9-15(10-13)17(22)19-11-16-20-21-18(25-16)26(23,24)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyZNYXJQTZIQCEIA-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.28
Rot. Bonds6

About N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide

N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide (PubChem CID 9189372) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide
PubChem CID9189372
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nnc(S(=O)(=O)Cc3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O4S/c1-13-6-5-9-15(10-13)17(22)19-11-16-20-21-18(25-16)26(23,24)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyZNYXJQTZIQCEIA-UHFFFAOYSA-N
XLogP2.28
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide
CID 9189406
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 9189394
N-[3-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-methylbenzamide
CID 9190489
1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea
CID 9189459
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide
CID 9189646
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 9189649
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropanamide
CID 9190069
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-2-carboxamide
CID 9189643
1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
CID 9189834
N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 102500653
N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
CID 9189520

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide (CID 9189372) is N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2nnc(S(=O)(=O)Cc3ccccc3)o2)c1.
What is the InChIKey of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide?
The InChIKey is ZNYXJQTZIQCEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-13-6-5-9-15(10-13)17(22)19-11-16-20-21-18(25-16)26(23,24)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide?
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide has a molecular weight of 371.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 9189372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).