2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

C13H19N3O4S2 — CID 167260940

IUPAC2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NC1CCC1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C13H19N3O4S2/c17-10(6-21-7-11(18)15-9-2-1-3-9)14-4-5-16-12(19)8-22-13(16)20/h9H,1-8H2,(H,14,17)(H,15,18)
InChIKeyQFZWERRKHYXKOR-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.20
Rot. Bonds8

About 2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 167260940) has the molecular formula C13H19N3O4S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID167260940
Molecular FormulaC13H19N3O4S2
Molecular Weight345.45 g/mol
Exact Mass345.08
IUPAC Name2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NC1CCC1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C13H19N3O4S2/c17-10(6-21-7-11(18)15-9-2-1-3-9)14-4-5-16-12(19)8-22-13(16)20/h9H,1-8H2,(H,14,17)(H,15,18)
InChIKeyQFZWERRKHYXKOR-UHFFFAOYSA-N
XLogP0.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 167260940) is 2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is O=C(CSCC(=O)NC1CCC1)NCCN1C(=O)CSC1=O.
What is the InChIKey of 2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is QFZWERRKHYXKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S2/c17-10(6-21-7-11(18)15-9-2-1-3-9)14-4-5-16-12(19)8-22-13(16)20/h9H,1-8H2,(H,14,17)(H,15,18).
What are the key properties of 2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylamino)-2-oxoethyl]sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 167260940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).