N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide

C17H15N3O4S2 — CID 44921813

IUPACN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)o2)c1
InChIInChI=1S/C17H15N3O4S2/c1-25-13-7-5-6-12(10-13)16(21)18-17-20-19-15(24-17)11-26(22,23)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,20,21)
InChIKeyZGIBPTIEAZZZPT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.02
Rot. Bonds6

About N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide

N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide (PubChem CID 44921813) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
PubChem CID44921813
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)o2)c1
InChIInChI=1S/C17H15N3O4S2/c1-25-13-7-5-6-12(10-13)16(21)18-17-20-19-15(24-17)11-26(22,23)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,20,21)
InChIKeyZGIBPTIEAZZZPT-UHFFFAOYSA-N
XLogP3.02
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-bromobenzamide
CID 44921722
methyl 4-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 44921757
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide
CID 44921962
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 44921756
3-ethylsulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974102
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 43976786
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 44921726
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 44921766
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266914
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 44921964
3-ethylsulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975188

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide (CID 44921813) is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide is CSc1cccc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)o2)c1.
What is the InChIKey of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
The InChIKey is ZGIBPTIEAZZZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c1-25-13-7-5-6-12(10-13)16(21)18-17-20-19-15(24-17)11-26(22,23)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,20,21).
What are the key properties of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide?
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide is sourced from PubChem (CID 44921813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).