4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C24H22N4O4S2 — CID 18576949

IUPAC4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3SC)o2)cc1
InChIInChI=1S/C24H22N4O4S2/c1-3-28(18-9-5-4-6-10-18)34(30,31)19-15-13-17(14-16-19)22(29)25-24-27-26-23(32-24)20-11-7-8-12-21(20)33-2/h4-16H,3H2,1-2H3,(H,25,27,29)
InChIKeyHSZWUMLMNHWEMZ-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.93
Rot. Bonds8

About 4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 18576949) has the molecular formula C24H22N4O4S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID18576949
Molecular FormulaC24H22N4O4S2
Molecular Weight494.60 g/mol
Exact Mass494.11
IUPAC Name4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3SC)o2)cc1
InChIInChI=1S/C24H22N4O4S2/c1-3-28(18-9-5-4-6-10-18)34(30,31)19-15-13-17(14-16-19)22(29)25-24-27-26-23(32-24)20-11-7-8-12-21(20)33-2/h4-16H,3H2,1-2H3,(H,25,27,29)
InChIKeyHSZWUMLMNHWEMZ-UHFFFAOYSA-N
XLogP4.93
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41027946
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028039
4-[ethyl(phenyl)sulfamoyl]-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155656
methyl 4-[[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 7577907
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 16917746
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43978019
4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977165
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16821748
N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2711419
2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577911
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3430781

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 18576949) is 4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3SC)o2)cc1.
What is the InChIKey of 4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is HSZWUMLMNHWEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S2/c1-3-28(18-9-5-4-6-10-18)34(30,31)19-15-13-17(14-16-19)22(29)25-24-27-26-23(32-24)20-11-7-8-12-21(20)33-2/h4-16H,3H2,1-2H3,(H,25,27,29).
What are the key properties of 4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 494.60 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(phenyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 18576949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).