6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide

C19H32N2O4S — CID 58052221

IUPAC6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide
SMILESCCCCCNC(=O)CCCCCN1C(=O)CC(SCCC(C)=O)C1=O
InChIInChI=1S/C19H32N2O4S/c1-3-4-7-11-20-17(23)9-6-5-8-12-21-18(24)14-16(19(21)25)26-13-10-15(2)22/h16H,3-14H2,1-2H3,(H,20,23)
InChIKeyKEUWJEKIWWDJCV-UHFFFAOYSA-N
MW384.54 g/mol
LogP2.69
Rot. Bonds14

About 6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide

6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide (PubChem CID 58052221) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is 6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide.

Molecular Properties

Compound Name6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide
PubChem CID58052221
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC Name6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide
SMILESCCCCCNC(=O)CCCCCN1C(=O)CC(SCCC(C)=O)C1=O
InChIInChI=1S/C19H32N2O4S/c1-3-4-7-11-20-17(23)9-6-5-8-12-21-18(24)14-16(19(21)25)26-13-10-15(2)22/h16H,3-14H2,1-2H3,(H,20,23)
InChIKeyKEUWJEKIWWDJCV-UHFFFAOYSA-N
XLogP2.69
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide?
The IUPAC name of 6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide (CID 58052221) is 6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide.
What is the SMILES notation for 6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide?
The canonical SMILES for 6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide is CCCCCNC(=O)CCCCCN1C(=O)CC(SCCC(C)=O)C1=O.
What is the InChIKey of 6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide?
The InChIKey is KEUWJEKIWWDJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-3-4-7-11-20-17(23)9-6-5-8-12-21-18(24)14-16(19(21)25)26-13-10-15(2)22/h16H,3-14H2,1-2H3,(H,20,23).
What are the key properties of 6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide?
6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide has a molecular weight of 384.54 g/mol, XLogP of 2.69, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,5-dioxo-3-(3-oxobutylsulfanyl)pyrrolidin-1-yl]-N-pentylhexanamide is sourced from PubChem (CID 58052221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).