N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide

C23H20N2O3S2 — CID 11282007

IUPACN-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1csc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)c1ccccc1
InChIInChI=1S/C23H20N2O3S2/c1-25(22(27)18-5-3-2-4-6-18)13-16-12-19(29-14-16)17-9-7-15(8-10-17)11-20-21(26)24-23(28)30-20/h2-10,12,14,20H,11,13H2,1H3,(H,24,26,28)
InChIKeyLLPFTTRBMMIIDB-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.58
Rot. Bonds6

About N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide

N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide (PubChem CID 11282007) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide
PubChem CID11282007
Molecular FormulaC23H20N2O3S2
Molecular Weight436.56 g/mol
Exact Mass436.09
IUPAC NameN-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1csc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)c1ccccc1
InChIInChI=1S/C23H20N2O3S2/c1-25(22(27)18-5-3-2-4-6-18)13-16-12-19(29-14-16)17-9-7-15(8-10-17)11-20-21(26)24-23(28)30-20/h2-10,12,14,20H,11,13H2,1H3,(H,24,26,28)
InChIKeyLLPFTTRBMMIIDB-UHFFFAOYSA-N
XLogP4.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methyl-4-phenylbenzamide
CID 10029218
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide
CID 86749175
N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-4-[4-(2-methoxyethoxy)phenyl]-N-methylbenzamide
CID 10393435
N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 10368570
2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide
CID 10159792
3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide
CID 11408335
N-benzyl-N-methyl-3-[4-[(2-oxopiperidin-3-yl)methyl]phenyl]benzamide
CID 110253925
5-[[4-[(E)-4-oxo-4-phenylbut-2-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 163489662
sodium;hydride;2-phenylethyl N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylcarbamate
CID 173361637
N-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]carbamate
CID 22341438
1-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-1-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 10054184
5-[[4-(3,3-dimethylbutyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 54157642

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide (CID 11282007) is N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide is CN(Cc1csc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide?
The InChIKey is LLPFTTRBMMIIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c1-25(22(27)18-5-3-2-4-6-18)13-16-12-19(29-14-16)17-9-7-15(8-10-17)11-20-21(26)24-23(28)30-20/h2-10,12,14,20H,11,13H2,1H3,(H,24,26,28).
What are the key properties of N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide?
N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide has a molecular weight of 436.56 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 11282007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).