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

C18H20N2O4S — CID 7686104

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C18H20N2O4S/c1-24-17-10-3-2-9-16(17)19-18(21)14-7-6-8-15(13-14)20-11-4-5-12-25(20,22)23/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,19,21)
InChIKeyLEDQBQBYDQNWJV-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.88
Rot. Bonds4

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

3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide (PubChem CID 7686104) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
PubChem CID7686104
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C18H20N2O4S/c1-24-17-10-3-2-9-16(17)19-18(21)14-7-6-8-15(13-14)20-11-4-5-12-25(20,22)23/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,19,21)
InChIKeyLEDQBQBYDQNWJV-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686036
N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499116
methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
CID 18134729
3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 7686029
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 24594691
N-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972575
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]naphthalene-2-carboxamide
CID 7482934
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25493244
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51309956

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide (CID 7686104) is 3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide?
The InChIKey is LEDQBQBYDQNWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-17-10-3-2-9-16(17)19-18(21)14-7-6-8-15(13-14)20-11-4-5-12-25(20,22)23/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,19,21).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide?
3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.88, 4 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-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 7686104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).