2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

C15H23N3O4S2 — CID 167260954

IUPAC2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESCC1SC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C15H23N3O4S2/c1-10-14(21)18(15(22)24-10)7-6-16-12(19)8-23-9-13(20)17-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyFXXZXMMJUBQDBN-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.98
Rot. Bonds8

About 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 167260954) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID167260954
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESCC1SC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C15H23N3O4S2/c1-10-14(21)18(15(22)24-10)7-6-16-12(19)8-23-9-13(20)17-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyFXXZXMMJUBQDBN-UHFFFAOYSA-N
XLogP0.98
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.98
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-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 167260954) is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is CC1SC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1=O.
What is the InChIKey of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is FXXZXMMJUBQDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c1-10-14(21)18(15(22)24-10)7-6-16-12(19)8-23-9-13(20)17-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(5-methyl-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 167260954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).