4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide

C23H22N2O5S — CID 55454072

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C23H22N2O5S/c1-29-21-5-2-3-6-22(21)30-20-13-9-18(10-14-20)24-23(26)17-7-11-19(12-8-17)25-15-4-16-31(25,27)28/h2-3,5-14H,4,15-16H2,1H3,(H,24,26)
InChIKeyGONPRHJTDBQEGW-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.28
Rot. Bonds6

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide (PubChem CID 55454072) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
PubChem CID55454072
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C23H22N2O5S/c1-29-21-5-2-3-6-22(21)30-20-13-9-18(10-14-20)24-23(26)17-7-11-19(12-8-17)25-15-4-16-31(25,27)28/h2-3,5-14H,4,15-16H2,1H3,(H,24,26)
InChIKeyGONPRHJTDBQEGW-UHFFFAOYSA-N
XLogP4.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
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
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 30374705
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide
CID 55432816
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]naphthalene-2-carboxamide
CID 7482934
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55905131
N-(2-butoxy-5-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55675382
N-[2-(difluoromethoxy)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246339

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide (CID 55454072) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide is COc1ccccc1Oc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide?
The InChIKey is GONPRHJTDBQEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-29-21-5-2-3-6-22(21)30-20-13-9-18(10-14-20)24-23(26)17-7-11-19(12-8-17)25-15-4-16-31(25,27)28/h2-3,5-14H,4,15-16H2,1H3,(H,24,26).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide has a molecular weight of 438.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide is sourced from PubChem (CID 55454072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).