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

C27H26N2O3S — CID 22341528

IUPACN-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1
InChIInChI=1S/C27H26N2O3S/c30-25(14-11-19-5-2-1-3-6-19)28-16-15-20-7-4-8-23(17-20)22-12-9-21(10-13-22)18-24-26(31)29-27(32)33-24/h1-10,12-13,17,24H,11,14-16,18H2,(H,28,30)(H,29,31,32)
InChIKeyNBVXZAMDKCQWBU-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.54
Rot. Bonds9

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

N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide (PubChem CID 22341528) has the molecular formula C27H26N2O3S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide
PubChem CID22341528
Molecular FormulaC27H26N2O3S
Molecular Weight458.58 g/mol
Exact Mass458.17
IUPAC NameN-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1
InChIInChI=1S/C27H26N2O3S/c30-25(14-11-19-5-2-1-3-6-19)28-16-15-20-7-4-8-23(17-20)22-12-9-21(10-13-22)18-24-26(31)29-27(32)33-24/h1-10,12-13,17,24H,11,14-16,18H2,(H,28,30)(H,29,31,32)
InChIKeyNBVXZAMDKCQWBU-UHFFFAOYSA-N
XLogP4.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide
CID 10159792
[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-phenylcarbamic acid
CID 22341418
N-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]carbamate
CID 22341438
N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 10368570
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 22418100
N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-4-[4-(2-methoxyethoxy)phenyl]-N-methylbenzamide
CID 10393435
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide
CID 11282007
2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]nonanoic acid
CID 22341530
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide
CID 139774309
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide (CID 22341528) is N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1.
What is the InChIKey of N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide?
The InChIKey is NBVXZAMDKCQWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3S/c30-25(14-11-19-5-2-1-3-6-19)28-16-15-20-7-4-8-23(17-20)22-12-9-21(10-13-22)18-24-26(31)29-27(32)33-24/h1-10,12-13,17,24H,11,14-16,18H2,(H,28,30)(H,29,31,32).
What are the key properties of N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide?
N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide has a molecular weight of 458.58 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 22341528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).