N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide

C20H22N2O5S — CID 7517012

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C20H22N2O5S/c1-14-4-5-15(12-17(14)22-8-2-3-11-28(22,24)25)20(23)21-16-6-7-18-19(13-16)27-10-9-26-18/h4-7,12-13H,2-3,8-11H2,1H3,(H,21,23)
InChIKeyRIUOPEYWYVDTKT-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.95
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide (PubChem CID 7517012) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
PubChem CID7517012
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C20H22N2O5S/c1-14-4-5-15(12-17(14)22-8-2-3-11-28(22,24)25)20(23)21-16-6-7-18-19(13-16)27-10-9-26-18/h4-7,12-13H,2-3,8-11H2,1H3,(H,21,23)
InChIKeyRIUOPEYWYVDTKT-UHFFFAOYSA-N
XLogP2.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517052
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
CID 112505554
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-(3-nitrophenyl)benzamide
CID 7686360
N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7658997
N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7640667
[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 7686257
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 7686230
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581814
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7638785
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 112505449

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide (CID 7517012) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1N1CCCCS1(=O)=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
The InChIKey is RIUOPEYWYVDTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-14-4-5-15(12-17(14)22-8-2-3-11-28(22,24)25)20(23)21-16-6-7-18-19(13-16)27-10-9-26-18/h4-7,12-13H,2-3,8-11H2,1H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide has a molecular weight of 402.47 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 7517012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).