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

C19H22N2O5S — CID 7686036

IUPACN-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c(OC)c1
InChIInChI=1S/C19H22N2O5S/c1-25-16-8-9-17(18(13-16)26-2)20-19(22)14-6-5-7-15(12-14)21-10-3-4-11-27(21,23)24/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,22)
InChIKeyJOCNUSRDXWXWGL-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.89
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 7686036) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID7686036
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c(OC)c1
InChIInChI=1S/C19H22N2O5S/c1-25-16-8-9-17(18(13-16)26-2)20-19(22)14-6-5-7-15(12-14)21-10-3-4-11-27(21,23)24/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,22)
InChIKeyJOCNUSRDXWXWGL-UHFFFAOYSA-N
XLogP2.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104
N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499116
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]naphthalene-2-carboxamide
CID 7482934
methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
CID 18134729
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 24594691
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]acetamide
CID 7627611
3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 7686029
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 41287996
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(3-methoxyphenoxy)acetamide
CID 7482949
N-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972575

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide (CID 7686036) is N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide is COc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is JOCNUSRDXWXWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-16-8-9-17(18(13-16)26-2)20-19(22)14-6-5-7-15(12-14)21-10-3-4-11-27(21,23)24/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 7686036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).