4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C14H15F2N3O3S — CID 135371380

IUPAC4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCS(=O)c1c(C(F)F)ccc(C(=O)Nc2nnc(C)o2)c1C
InChIInChI=1S/C14H15F2N3O3S/c1-4-23(21)11-7(2)9(5-6-10(11)12(15)16)13(20)17-14-19-18-8(3)22-14/h5-6,12H,4H2,1-3H3,(H,17,19,20)
InChIKeyFBSLWKUGTPIKJW-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.00
Rot. Bonds5

About 4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 135371380) has the molecular formula C14H15F2N3O3S and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID135371380
Molecular FormulaC14H15F2N3O3S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC Name4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCS(=O)c1c(C(F)F)ccc(C(=O)Nc2nnc(C)o2)c1C
InChIInChI=1S/C14H15F2N3O3S/c1-4-23(21)11-7(2)9(5-6-10(11)12(15)16)13(20)17-14-19-18-8(3)22-14/h5-6,12H,4H2,1-3H3,(H,17,19,20)
InChIKeyFBSLWKUGTPIKJW-UHFFFAOYSA-N
XLogP3.00
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 135371380) is 4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is CCS(=O)c1c(C(F)F)ccc(C(=O)Nc2nnc(C)o2)c1C.
What is the InChIKey of 4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is FBSLWKUGTPIKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3S/c1-4-23(21)11-7(2)9(5-6-10(11)12(15)16)13(20)17-14-19-18-8(3)22-14/h5-6,12H,4H2,1-3H3,(H,17,19,20).
What are the key properties of 4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 343.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 135371380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).