N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide

C14H16F2N2O4S — CID 95149568

IUPACN-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
SMILESC[C@H](NC(=O)c1ccc(F)cc1F)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H16F2N2O4S/c1-9(14(20)18-4-6-23(21,22)7-5-18)17-13(19)11-3-2-10(15)8-12(11)16/h2-3,8-9H,4-7H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyQYRWDQHKENYPMK-VIFPVBQESA-N
MW346.36 g/mol
LogP0.34
Rot. Bonds3

About N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide

N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide (PubChem CID 95149568) has the molecular formula C14H16F2N2O4S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
PubChem CID95149568
Molecular FormulaC14H16F2N2O4S
Molecular Weight346.36 g/mol
Exact Mass346.08
IUPAC NameN-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
SMILESC[C@H](NC(=O)c1ccc(F)cc1F)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H16F2N2O4S/c1-9(14(20)18-4-6-23(21,22)7-5-18)17-13(19)11-3-2-10(15)8-12(11)16/h2-3,8-9H,4-7H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyQYRWDQHKENYPMK-VIFPVBQESA-N
XLogP0.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 99808858
4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103874932
1-(2,4-difluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 43797028
2-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 61041045
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 56581097
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 56533555
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-ethylpyridine-2-carboxamide
CID 146125687
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51130305
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide (CID 95149568) is N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide is C[C@H](NC(=O)c1ccc(F)cc1F)C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide?
The InChIKey is QYRWDQHKENYPMK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F2N2O4S/c1-9(14(20)18-4-6-23(21,22)7-5-18)17-13(19)11-3-2-10(15)8-12(11)16/h2-3,8-9H,4-7H2,1H3,(H,17,19)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide?
N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide has a molecular weight of 346.36 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 95149568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).