2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide

C13H14F3N3O4S — CID 155129694

IUPAC2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
SMILESCc1c(C(=O)NC2=NNC(C)O2)ccc(C(F)(F)F)c1S(C)(=O)=O
InChIInChI=1S/C13H14F3N3O4S/c1-6-8(11(20)17-12-19-18-7(2)23-12)4-5-9(13(14,15)16)10(6)24(3,21)22/h4-5,7,18H,1-3H3,(H,17,19,20)
InChIKeyDWNCHVGEBUTCOS-UHFFFAOYSA-N
MW365.33 g/mol
LogP1.38
Rot. Bonds2

About 2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide

2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide (PubChem CID 155129694) has the molecular formula C13H14F3N3O4S and a molecular weight of 365.33 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
PubChem CID155129694
Molecular FormulaC13H14F3N3O4S
Molecular Weight365.33 g/mol
Exact Mass365.07
IUPAC Name2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
SMILESCc1c(C(=O)NC2=NNC(C)O2)ccc(C(F)(F)F)c1S(C)(=O)=O
InChIInChI=1S/C13H14F3N3O4S/c1-6-8(11(20)17-12-19-18-7(2)23-12)4-5-9(13(14,15)16)10(6)24(3,21)22/h4-5,7,18H,1-3H3,(H,17,19,20)
InChIKeyDWNCHVGEBUTCOS-UHFFFAOYSA-N
XLogP1.38
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 118642163
[2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)carbamoyl]-6-(trifluoromethyl)phenyl]methanesulfinic acid
CID 138703356
3-methoxysulfanyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118639448
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
2,5-dimethyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 58483001
3-ethylsulfonyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 166505089
bis[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 139698650
2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118368096
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
CID 43546989
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 166383904
5-[3,5-bis(trifluoromethyl)phenyl]-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 87236285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide (CID 155129694) is 2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide is Cc1c(C(=O)NC2=NNC(C)O2)ccc(C(F)(F)F)c1S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The InChIKey is DWNCHVGEBUTCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O4S/c1-6-8(11(20)17-12-19-18-7(2)23-12)4-5-9(13(14,15)16)10(6)24(3,21)22/h4-5,7,18H,1-3H3,(H,17,19,20).
What are the key properties of 2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide has a molecular weight of 365.33 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155129694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).