5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide

C20H17ClN2O5S — CID 22418133

IUPAC5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C20H17ClN2O5S/c1-28-16-7-6-13(21)9-14(16)18(25)22-10-15(24)12-4-2-11(3-5-12)8-17-19(26)23-20(27)29-17/h2-7,9,17H,8,10H2,1H3,(H,22,25)(H,23,26,27)
InChIKeyBETCNFYFMPPXPI-UHFFFAOYSA-N
MW432.89 g/mol
LogP2.86
Rot. Bonds7

About 5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide

5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 22418133) has the molecular formula C20H17ClN2O5S and a molecular weight of 432.89 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide
PubChem CID22418133
Molecular FormulaC20H17ClN2O5S
Molecular Weight432.89 g/mol
Exact Mass432.05
IUPAC Name5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C20H17ClN2O5S/c1-28-16-7-6-13(21)9-14(16)18(25)22-10-15(24)12-4-2-11(3-5-12)8-17-19(26)23-20(27)29-17/h2-7,9,17H,8,10H2,1H3,(H,22,25)(H,23,26,27)
InChIKeyBETCNFYFMPPXPI-UHFFFAOYSA-N
XLogP2.86
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]propyl]-2-methoxybenzamide
CID 22418104
N-[[4-(dimethylamino)phenyl]methyl]-5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxybenzamide
CID 15487783
5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[[3-hydroxy-4-(trifluoromethyl)phenyl]methyl]-2-methoxybenzamide
CID 156614158
N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide
CID 20777438
5-[[4-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230336
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 20777451
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 58870347
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide (CID 22418133) is 5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is BETCNFYFMPPXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5S/c1-28-16-7-6-13(21)9-14(16)18(25)22-10-15(24)12-4-2-11(3-5-12)8-17-19(26)23-20(27)29-17/h2-7,9,17H,8,10H2,1H3,(H,22,25)(H,23,26,27).
What are the key properties of 5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide?
5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 432.89 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 22418133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).