3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide

C19H22N2O5S — CID 110311283

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide
SMILESO=C(NOCCOc1ccccc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C19H22N2O5S/c22-19(20-26-13-12-25-18-9-2-1-3-10-18)16-7-6-8-17(15-16)21-11-4-5-14-27(21,23)24/h1-3,6-10,15H,4-5,11-14H2,(H,20,22)
InChIKeyQXCUORQNEWANMA-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.36
Rot. Bonds7

About 3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide

3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide (PubChem CID 110311283) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide
PubChem CID110311283
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide
SMILESO=C(NOCCOc1ccccc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C19H22N2O5S/c22-19(20-26-13-12-25-18-9-2-1-3-10-18)16-7-6-8-17(15-16)21-11-4-5-14-27(21,23)24/h1-3,6-10,15H,4-5,11-14H2,(H,20,22)
InChIKeyQXCUORQNEWANMA-UHFFFAOYSA-N
XLogP2.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 110306771
3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55904558
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide
CID 112824130
[2-(methylamino)-2-oxoethyl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46695746
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 7686029
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 24594691

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide (CID 110311283) is 3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide is O=C(NOCCOc1ccccc1)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide?
The InChIKey is QXCUORQNEWANMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c22-19(20-26-13-12-25-18-9-2-1-3-10-18)16-7-6-8-17(15-16)21-11-4-5-14-27(21,23)24/h1-3,6-10,15H,4-5,11-14H2,(H,20,22).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide?
3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 110311283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).