N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide

C23H30N2O6S — CID 16831289

IUPACN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O6S/c1-4-29-20-15-17(16-21(30-5-2)22(20)31-6-3)23(26)24-18-9-11-19(12-10-18)25-13-7-8-14-32(25,27)28/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,24,26)
InChIKeyXANYMMHTXOQGLA-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.07
Rot. Bonds9

About N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide (PubChem CID 16831289) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide
PubChem CID16831289
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O6S/c1-4-29-20-15-17(16-21(30-5-2)22(20)31-6-3)23(26)24-18-9-11-19(12-10-18)25-13-7-8-14-32(25,27)28/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,24,26)
InChIKeyXANYMMHTXOQGLA-UHFFFAOYSA-N
XLogP4.07
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 18564859
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide
CID 16831288
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2945862
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-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide (CID 16831289) is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide?
The InChIKey is XANYMMHTXOQGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-4-29-20-15-17(16-21(30-5-2)22(20)31-6-3)23(26)24-18-9-11-19(12-10-18)25-13-7-8-14-32(25,27)28/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,24,26).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide?
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide has a molecular weight of 462.57 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 16831289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).