N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide

C20H18F2N2O4S — CID 5307965

IUPACN-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCc1ccccc1-c1nc(CS(=O)(=O)CC(=O)Nc2cc(F)ccc2F)c(C)o1
InChIInChI=1S/C20H18F2N2O4S/c1-12-5-3-4-6-15(12)20-24-18(13(2)28-20)10-29(26,27)11-19(25)23-17-9-14(21)7-8-16(17)22/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyPESZKZPFTWJOSQ-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.79
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide

N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide (PubChem CID 5307965) has the molecular formula C20H18F2N2O4S and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
PubChem CID5307965
Molecular FormulaC20H18F2N2O4S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC NameN-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCc1ccccc1-c1nc(CS(=O)(=O)CC(=O)Nc2cc(F)ccc2F)c(C)o1
InChIInChI=1S/C20H18F2N2O4S/c1-12-5-3-4-6-15(12)20-24-18(13(2)28-20)10-29(26,27)11-19(25)23-17-9-14(21)7-8-16(17)22/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyPESZKZPFTWJOSQ-UHFFFAOYSA-N
XLogP3.79
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide (CID 5307965) is N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide is Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)Nc2cc(F)ccc2F)c(C)o1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The InChIKey is PESZKZPFTWJOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4S/c1-12-5-3-4-6-15(12)20-24-18(13(2)28-20)10-29(26,27)11-19(25)23-17-9-14(21)7-8-16(17)22/h3-9H,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide has a molecular weight of 420.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide is sourced from PubChem (CID 5307965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).