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4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide

C20H28N2O3S — CID 167863555

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide
SMILESO=C(CCCC1CCC1)NC1CCN(C(=O)CCC(=O)c2cccs2)C1
InChIInChI=1S/C20H28N2O3S/c23-17(18-7-3-13-26-18)9-10-20(25)22-12-11-16(14-22)21-19(24)8-2-6-15-4-1-5-15/h3,7,13,15-16H,1-2,4-6,8-12,14H2,(H,21,24)
InChIKeyBYBQNCKCWHKIBN-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.40
Rot. Bonds9

About 4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide

4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide (PubChem CID 167863555) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide
PubChem CID167863555
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide
SMILESO=C(CCCC1CCC1)NC1CCN(C(=O)CCC(=O)c2cccs2)C1
InChIInChI=1S/C20H28N2O3S/c23-17(18-7-3-13-26-18)9-10-20(25)22-12-11-16(14-22)21-19(24)8-2-6-15-4-1-5-15/h3,7,13,15-16H,1-2,4-6,8-12,14H2,(H,21,24)
InChIKeyBYBQNCKCWHKIBN-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide?
The IUPAC name of 4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide (CID 167863555) is 4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide.
What is the SMILES notation for 4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide?
The canonical SMILES for 4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide is O=C(CCCC1CCC1)NC1CCN(C(=O)CCC(=O)c2cccs2)C1.
What is the InChIKey of 4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide?
The InChIKey is BYBQNCKCWHKIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c23-17(18-7-3-13-26-18)9-10-20(25)22-12-11-16(14-22)21-19(24)8-2-6-15-4-1-5-15/h3,7,13,15-16H,1-2,4-6,8-12,14H2,(H,21,24).
What are the key properties of 4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide?
4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide has a molecular weight of 376.52 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 167863555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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