N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C19H20N2O5S — CID 17409312

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C19H20N2O5S/c22-19(20-13-14-2-7-17-18(12-14)26-10-9-25-17)15-3-5-16(6-4-15)21-8-1-11-27(21,23)24/h2-7,12H,1,8-11,13H2,(H,20,22)
InChIKeyIBBHXYXJJGTLDS-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.93
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 17409312) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID17409312
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C19H20N2O5S/c22-19(20-13-14-2-7-17-18(12-14)26-10-9-25-17)15-3-5-16(6-4-15)21-8-1-11-27(21,23)24/h2-7,12H,1,8-11,13H2,(H,20,22)
InChIKeyIBBHXYXJJGTLDS-UHFFFAOYSA-N
XLogP1.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9404185
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 55693811
3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55878043
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55499228
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18093380
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581814
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9398987
N-(1,3-benzodioxol-5-ylmethyl)-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
CID 20962762

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 17409312) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(NCc1ccc2c(c1)OCCO2)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is IBBHXYXJJGTLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-19(20-13-14-2-7-17-18(12-14)26-10-9-25-17)15-3-5-16(6-4-15)21-8-1-11-27(21,23)24/h2-7,12H,1,8-11,13H2,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 388.45 g/mol, XLogP of 1.93, 4 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-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 17409312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).