N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide

C14H15F3N2O5S — CID 145307952

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC(=O)N1CCS(=O)(=O)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O5S/c15-14(16,17)24-11-3-1-10(2-4-11)13(21)18-9-12(20)19-5-7-25(22,23)8-6-19/h1-4H,5-9H2,(H,18,21)
InChIKeyDYFBLAYMCFFFOT-UHFFFAOYSA-N
MW380.34 g/mol
LogP0.57
Rot. Bonds4

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 145307952) has the molecular formula C14H15F3N2O5S and a molecular weight of 380.34 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide
PubChem CID145307952
Molecular FormulaC14H15F3N2O5S
Molecular Weight380.34 g/mol
Exact Mass380.07
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC(=O)N1CCS(=O)(=O)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O5S/c15-14(16,17)24-11-3-1-10(2-4-11)13(21)18-9-12(20)19-5-7-25(22,23)8-6-19/h1-4H,5-9H2,(H,18,21)
InChIKeyDYFBLAYMCFFFOT-UHFFFAOYSA-N
XLogP0.57
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide (CID 145307952) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide is O=C(NCC(=O)N1CCS(=O)(=O)CC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is DYFBLAYMCFFFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O5S/c15-14(16,17)24-11-3-1-10(2-4-11)13(21)18-9-12(20)19-5-7-25(22,23)8-6-19/h1-4H,5-9H2,(H,18,21).
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 380.34 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 145307952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).