N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide

C15H23N3O4S — CID 139517046

IUPACN-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide
SMILESO=C(CCN1C(=O)CSC1=O)NCCCC(=O)NCC1CCC1
InChIInChI=1S/C15H23N3O4S/c19-12(17-9-11-3-1-4-11)5-2-7-16-13(20)6-8-18-14(21)10-23-15(18)22/h11H,1-10H2,(H,16,20)(H,17,19)
InChIKeyIRDSKQGXSVVORV-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.88
Rot. Bonds9

About N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide

N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide (PubChem CID 139517046) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide
PubChem CID139517046
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide
SMILESO=C(CCN1C(=O)CSC1=O)NCCCC(=O)NCC1CCC1
InChIInChI=1S/C15H23N3O4S/c19-12(17-9-11-3-1-4-11)5-2-7-16-13(20)6-8-18-14(21)10-23-15(18)22/h11H,1-10H2,(H,16,20)(H,17,19)
InChIKeyIRDSKQGXSVVORV-UHFFFAOYSA-N
XLogP0.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide?
The IUPAC name of N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide (CID 139517046) is N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide.
What is the SMILES notation for N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide?
The canonical SMILES for N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide is O=C(CCN1C(=O)CSC1=O)NCCCC(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide?
The InChIKey is IRDSKQGXSVVORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c19-12(17-9-11-3-1-4-11)5-2-7-16-13(20)6-8-18-14(21)10-23-15(18)22/h11H,1-10H2,(H,16,20)(H,17,19).
What are the key properties of N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide?
N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide has a molecular weight of 341.43 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoylamino]butanamide is sourced from PubChem (CID 139517046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).