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

C18H19FN2O3S — CID 2811595

IUPACN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c19-16-5-3-15(4-6-16)18(22)20-17-7-1-14(2-8-17)13-21-9-11-25(23,24)12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyRYGPLQPCLXOBKN-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.31
Rot. Bonds4

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

N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide (PubChem CID 2811595) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide
PubChem CID2811595
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c19-16-5-3-15(4-6-16)18(22)20-17-7-1-14(2-8-17)13-21-9-11-25(23,24)12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyRYGPLQPCLXOBKN-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.31
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-fluorobenzamide?
The IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide (CID 2811595) is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide is O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide?
The InChIKey is RYGPLQPCLXOBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-16-5-3-15(4-6-16)18(22)20-17-7-1-14(2-8-17)13-21-9-11-25(23,24)12-10-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide?
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-fluorobenzamide has a molecular weight of 362.43 g/mol, XLogP of 2.31, 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-fluorobenzamide is sourced from PubChem (CID 2811595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).