N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide

C19H19F3N2O3S — CID 2812628

IUPACN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)16-5-3-15(4-6-16)18(25)23-17-7-1-14(2-8-17)13-24-9-11-28(26,27)12-10-24/h1-8H,9-13H2,(H,23,25)
InChIKeyRGKUAPAYMGHOJT-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.19
Rot. Bonds4

About N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide

N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 2812628) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID2812628
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3S/c20-19(21,22)16-5-3-15(4-6-16)18(25)23-17-7-1-14(2-8-17)13-24-9-11-28(26,27)12-10-24/h1-8H,9-13H2,(H,23,25)
InChIKeyRGKUAPAYMGHOJT-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide (CID 2812628) is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is RGKUAPAYMGHOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c20-19(21,22)16-5-3-15(4-6-16)18(25)23-17-7-1-14(2-8-17)13-24-9-11-28(26,27)12-10-24/h1-8H,9-13H2,(H,23,25).
What are the key properties of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide?
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 412.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 2812628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).