N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

C15H16F2N2O4S2 — CID 8934103

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H16F2N2O4S2/c1-9-13(10(2)23-19-9)7-24-8-14(20)18-11-3-5-12(6-4-11)25(21,22)15(16)17/h3-6,15H,7-8H2,1-2H3,(H,18,20)
InChIKeySZXFHOWBOBPNMM-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.16
Rot. Bonds7

About N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 8934103) has the molecular formula C15H16F2N2O4S2 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID8934103
Molecular FormulaC15H16F2N2O4S2
Molecular Weight390.43 g/mol
Exact Mass390.05
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H16F2N2O4S2/c1-9-13(10(2)23-19-9)7-24-8-14(20)18-11-3-5-12(6-4-11)25(21,22)15(16)17/h3-6,15H,7-8H2,1-2H3,(H,18,20)
InChIKeySZXFHOWBOBPNMM-UHFFFAOYSA-N
XLogP3.16
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (CID 8934103) is N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is Cc1noc(C)c1CSCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is SZXFHOWBOBPNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4S2/c1-9-13(10(2)23-19-9)7-24-8-14(20)18-11-3-5-12(6-4-11)25(21,22)15(16)17/h3-6,15H,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 390.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 8934103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).