3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide

C17H18N2O3S — CID 7686078

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H18N2O3S/c20-17(18-15-8-2-1-3-9-15)14-7-6-10-16(13-14)19-11-4-5-12-23(19,21)22/h1-3,6-10,13H,4-5,11-12H2,(H,18,20)
InChIKeyFJGBVBHCLHVHJH-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.87
Rot. Bonds3

About 3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide

3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide (PubChem CID 7686078) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
PubChem CID7686078
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H18N2O3S/c20-17(18-15-8-2-1-3-9-15)14-7-6-10-16(13-14)19-11-4-5-12-23(19,21)22/h1-3,6-10,13H,4-5,11-12H2,(H,18,20)
InChIKeyFJGBVBHCLHVHJH-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
CID 46475375
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18289205
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972575
N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 41492455

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide (CID 7686078) is 3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide?
The InChIKey is FJGBVBHCLHVHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-17(18-15-8-2-1-3-9-15)14-7-6-10-16(13-14)19-11-4-5-12-23(19,21)22/h1-3,6-10,13H,4-5,11-12H2,(H,18,20).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide?
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide has a molecular weight of 330.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 7686078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).