N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide

C18H17N3O3S — CID 4736011

IUPACN-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2SC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-12(22)19-14-7-9-15(10-8-14)20-16-17(23)21(18(24)25-16)11-13-5-3-2-4-6-13/h2-10,16,20H,11H2,1H3,(H,19,22)
InChIKeyLJJBIILVXHBREL-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.28
Rot. Bonds5

About N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide

N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide (PubChem CID 4736011) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide
PubChem CID4736011
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2SC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-12(22)19-14-7-9-15(10-8-14)20-16-17(23)21(18(24)25-16)11-13-5-3-2-4-6-13/h2-10,16,20H,11H2,1H3,(H,19,22)
InChIKeyLJJBIILVXHBREL-UHFFFAOYSA-N
XLogP3.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide (CID 4736011) is N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2SC(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide?
The InChIKey is LJJBIILVXHBREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12(22)19-14-7-9-15(10-8-14)20-16-17(23)21(18(24)25-16)11-13-5-3-2-4-6-13/h2-10,16,20H,11H2,1H3,(H,19,22).
What are the key properties of N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide?
N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetamide is sourced from PubChem (CID 4736011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).