4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C15H15N3O3S3 — CID 654811

IUPAC4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1
InChIInChI=1S/C15H15N3O3S3/c1-2-22-15-18-17-14(21-15)11-5-7-13(8-6-11)24(19,20)16-10-12-4-3-9-23-12/h3-9,16H,2,10H2,1H3
InChIKeyZPBVJWMGLGQORP-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.39
Rot. Bonds7

About 4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 654811) has the molecular formula C15H15N3O3S3 and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID654811
Molecular FormulaC15H15N3O3S3
Molecular Weight381.50 g/mol
Exact Mass381.03
IUPAC Name4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1
InChIInChI=1S/C15H15N3O3S3/c1-2-22-15-18-17-14(21-15)11-5-7-13(8-6-11)24(19,20)16-10-12-4-3-9-23-12/h3-9,16H,2,10H2,1H3
InChIKeyZPBVJWMGLGQORP-UHFFFAOYSA-N
XLogP3.39
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,4-Oxadiazole, 2-(4-methylphenyl)-5-(2-thienyl)-
CID 745354
(E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-thiophen-2-ylprop-2-enoic acid
CID 5846306
2-(Benzylsulfanyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 646210
2-(2-Methylphenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 1488527
2-(4-Fluoro-benzylsulfanyl)-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 644516
2-[5-(3,5-Dimethyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-thiophen-2-ylmethyl-acetamide
CID 646769
2-(2-Fluoro-benzylsulfanyl)-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 647044
2-(4-Methyl-benzylsulfanyl)-5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazole
CID 648399
N,N-Diethyl-4-[5-(5-phenyl-[1,3,4]oxadiazol-2-ylmethylsulfanyl)-[1,3,4]oxadiazol-2-yl]-benzenesulfonamide
CID 651687
(5-{4-[(Thiophen-2-ylmethyl)-sulfamoyl]-phenyl}-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid methyl ester
CID 654710
(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid benzyl ester
CID 655056
N,N-Diethyl-4-(5-methylsulfanyl-[1,3,4]oxadiazol-2-yl)-benzenesulfonamide
CID 860211

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 654811) is 4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1.
What is the InChIKey of 4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZPBVJWMGLGQORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S3/c1-2-22-15-18-17-14(21-15)11-5-7-13(8-6-11)24(19,20)16-10-12-4-3-9-23-12/h3-9,16H,2,10H2,1H3.
What are the key properties of 4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 654811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).