2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide

C14H24N2O3S — CID 54716748

IUPAC2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCCC(C)C1NC(=O)C(SCC(=O)NCC(C)C)=C1O
InChIInChI=1S/C14H24N2O3S/c1-5-9(4)11-12(18)13(14(19)16-11)20-7-10(17)15-6-8(2)3/h8-9,11,18H,5-7H2,1-4H3,(H,15,17)(H,16,19)
InChIKeySUKZENYDCQHVEV-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.81
Rot. Bonds7

About 2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide

2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide (PubChem CID 54716748) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide
PubChem CID54716748
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCCC(C)C1NC(=O)C(SCC(=O)NCC(C)C)=C1O
InChIInChI=1S/C14H24N2O3S/c1-5-9(4)11-12(18)13(14(19)16-11)20-7-10(17)15-6-8(2)3/h8-9,11,18H,5-7H2,1-4H3,(H,15,17)(H,16,19)
InChIKeySUKZENYDCQHVEV-UHFFFAOYSA-N
XLogP1.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide (CID 54716748) is 2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide is CCC(C)C1NC(=O)C(SCC(=O)NCC(C)C)=C1O.
What is the InChIKey of 2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
The InChIKey is SUKZENYDCQHVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-9(4)11-12(18)13(14(19)16-11)20-7-10(17)15-6-8(2)3/h8-9,11,18H,5-7H2,1-4H3,(H,15,17)(H,16,19).
What are the key properties of 2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide?
2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 300.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butan-2-yl-3-hydroxy-5-oxo-1,2-dihydropyrrol-4-yl)sulfanyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 54716748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).