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

C19H22N2O5S — CID 7685697

IUPACN-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-25-17-10-7-15(13-18(17)26-2)20-19(22)14-5-8-16(9-6-14)21-11-3-4-12-27(21,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyZFPHETALNXPCMR-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.89
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 7685697) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID7685697
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-25-17-10-7-15(13-18(17)26-2)20-19(22)14-5-8-16(9-6-14)21-11-3-4-12-27(21,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyZFPHETALNXPCMR-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

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 55454072
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9404185
N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55905131
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 16831289
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499116
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 7483265

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (CID 7685697) is N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is COc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is ZFPHETALNXPCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-17-10-7-15(13-18(17)26-2)20-19(22)14-5-8-16(9-6-14)21-11-3-4-12-27(21,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
N-(3,4-dimethoxyphenyl)-4-(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-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 7685697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).