N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide

C17H16N2O5S — CID 7638785

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16N2O5S/c20-17(12-5-6-15-16(9-12)24-11-23-15)18-13-3-1-4-14(10-13)19-7-2-8-25(19,21)22/h1,3-6,9-10H,2,7-8,11H2,(H,18,20)
InChIKeyXVBHQBPALVTYDK-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.21
Rot. Bonds3

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7638785) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7638785
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16N2O5S/c20-17(12-5-6-15-16(9-12)24-11-23-15)18-13-3-1-4-14(10-13)19-7-2-8-25(19,21)22/h1,3-6,9-10H,2,7-8,11H2,(H,18,20)
InChIKeyXVBHQBPALVTYDK-UHFFFAOYSA-N
XLogP2.21
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 29418178
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18138639
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7483166
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide
CID 112824130
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 18564859
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581814
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18289205
N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 41492455

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 7638785) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is XVBHQBPALVTYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c20-17(12-5-6-15-16(9-12)24-11-23-15)18-13-3-1-4-14(10-13)19-7-2-8-25(19,21)22/h1,3-6,9-10H,2,7-8,11H2,(H,18,20).
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7638785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).