3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide

C14H15F2N3O4S — CID 113072565

IUPAC3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
SMILESCc1cc(N(CCNC(=O)c2ccc(F)c(F)c2)S(C)(=O)=O)no1
InChIInChI=1S/C14H15F2N3O4S/c1-9-7-13(18-23-9)19(24(2,21)22)6-5-17-14(20)10-3-4-11(15)12(16)8-10/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)
InChIKeyYHXAHIXCCWFTNW-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.46
Rot. Bonds6

About 3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide

3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide (PubChem CID 113072565) has the molecular formula C14H15F2N3O4S and a molecular weight of 359.35 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
PubChem CID113072565
Molecular FormulaC14H15F2N3O4S
Molecular Weight359.35 g/mol
Exact Mass359.08
IUPAC Name3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
SMILESCc1cc(N(CCNC(=O)c2ccc(F)c(F)c2)S(C)(=O)=O)no1
InChIInChI=1S/C14H15F2N3O4S/c1-9-7-13(18-23-9)19(24(2,21)22)6-5-17-14(20)10-3-4-11(15)12(16)8-10/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)
InChIKeyYHXAHIXCCWFTNW-UHFFFAOYSA-N
XLogP1.46
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072535
tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate
CID 113072577
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3,4-difluorobenzamide
CID 113069894
N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147393
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065838
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
N-(5-chloro-2-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147399
N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113070047
N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147313
N-(3-methylbutyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147361
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 113147322

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide (CID 113072565) is 3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide is Cc1cc(N(CCNC(=O)c2ccc(F)c(F)c2)S(C)(=O)=O)no1.
What is the InChIKey of 3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide?
The InChIKey is YHXAHIXCCWFTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O4S/c1-9-7-13(18-23-9)19(24(2,21)22)6-5-17-14(20)10-3-4-11(15)12(16)8-10/h3-4,7-8H,5-6H2,1-2H3,(H,17,20).
What are the key properties of 3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide?
3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide has a molecular weight of 359.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide is sourced from PubChem (CID 113072565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).