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

C18H17N3O4S2 — CID 44921962

IUPACN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-26-14-9-7-13(8-10-14)17(22)19-18-21-20-16(25-18)11-12-27(23,24)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyOQIBDXCVVVSLOJ-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.06
Rot. Bonds7

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

N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide (PubChem CID 44921962) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide
PubChem CID44921962
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC NameN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-26-14-9-7-13(8-10-14)17(22)19-18-21-20-16(25-18)11-12-27(23,24)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyOQIBDXCVVVSLOJ-UHFFFAOYSA-N
XLogP3.06
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 44921964
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 44921919
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 44921813
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 44921935
4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43974118
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]-2,5-dichlorobenzamide
CID 44921886
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide
CID 44921880
3-ethylsulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974102
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 44921990
4-methylsulfanyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974919
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849494

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide (CID 44921962) is N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccccc3)o2)cc1.
What is the InChIKey of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide?
The InChIKey is OQIBDXCVVVSLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-26-14-9-7-13(8-10-14)17(22)19-18-21-20-16(25-18)11-12-27(23,24)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,21,22).
What are the key properties of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide?
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide has a molecular weight of 403.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 44921962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).