3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide

C23H22N2O4S — CID 92734125

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C23H22N2O4S/c26-23(18-7-6-8-20(17-18)25-15-4-5-16-30(25,27)28)24-19-11-13-22(14-12-19)29-21-9-2-1-3-10-21/h1-3,6-14,17H,4-5,15-16H2,(H,24,26)
InChIKeyYACCZJQPIZZASF-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.66
Rot. Bonds5

About 3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide

3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide (PubChem CID 92734125) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
PubChem CID92734125
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C23H22N2O4S/c26-23(18-7-6-8-20(17-18)25-15-4-5-16-30(25,27)28)24-19-11-13-22(14-12-19)29-21-9-2-1-3-10-21/h1-3,6-14,17H,4-5,15-16H2,(H,24,26)
InChIKeyYACCZJQPIZZASF-UHFFFAOYSA-N
XLogP4.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18289205
3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide
CID 110311283
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
CID 46475375
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686036
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide (CID 92734125) is 3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide?
The InChIKey is YACCZJQPIZZASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c26-23(18-7-6-8-20(17-18)25-15-4-5-16-30(25,27)28)24-19-11-13-22(14-12-19)29-21-9-2-1-3-10-21/h1-3,6-14,17H,4-5,15-16H2,(H,24,26).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide?
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide has a molecular weight of 422.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 92734125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).