N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

C15H18N4O4S — CID 110622867

IUPACN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)no1
InChIInChI=1S/C15H18N4O4S/c1-11-16-14(18-23-11)10-15(20)17-12-4-6-13(7-5-12)19-8-2-3-9-24(19,21)22/h4-7H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyBKEWRNABLAVTNF-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.49
Rot. Bonds4

About N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 110622867) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID110622867
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)no1
InChIInChI=1S/C15H18N4O4S/c1-11-16-14(18-23-11)10-15(20)17-12-4-6-13(7-5-12)19-8-2-3-9-24(19,21)22/h4-7H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyBKEWRNABLAVTNF-UHFFFAOYSA-N
XLogP1.49
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (CID 110622867) is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is Cc1nc(CC(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)no1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is BKEWRNABLAVTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-11-16-14(18-23-11)10-15(20)17-12-4-6-13(7-5-12)19-8-2-3-9-24(19,21)22/h4-7H,2-3,8-10H2,1H3,(H,17,20).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 350.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 110622867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).