N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide

C24H36N2O3S — CID 74443472

IUPACN-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide
SMILESCC1(O)CCC2(CCC(=O)N3CCCC3)C(NC(=O)c3cccs3)CC(C)(C)C2C1
InChIInChI=1S/C24H36N2O3S/c1-22(2)16-19(25-21(28)17-7-6-14-30-17)24(11-10-23(3,29)15-18(22)24)9-8-20(27)26-12-4-5-13-26/h6-7,14,18-19,29H,4-5,8-13,15-16H2,1-3H3,(H,25,28)
InChIKeyBNNRORYFOLCHRO-UHFFFAOYSA-N
MW432.63 g/mol
LogP4.22
Rot. Bonds5

About N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide

N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide (PubChem CID 74443472) has the molecular formula C24H36N2O3S and a molecular weight of 432.63 g/mol. Its IUPAC name is N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide
PubChem CID74443472
Molecular FormulaC24H36N2O3S
Molecular Weight432.63 g/mol
Exact Mass432.24
IUPAC NameN-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide
SMILESCC1(O)CCC2(CCC(=O)N3CCCC3)C(NC(=O)c3cccs3)CC(C)(C)C2C1
InChIInChI=1S/C24H36N2O3S/c1-22(2)16-19(25-21(28)17-7-6-14-30-17)24(11-10-23(3,29)15-18(22)24)9-8-20(27)26-12-4-5-13-26/h6-7,14,18-19,29H,4-5,8-13,15-16H2,1-3H3,(H,25,28)
InChIKeyBNNRORYFOLCHRO-UHFFFAOYSA-N
XLogP4.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide 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 N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide (CID 74443472) is N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide is CC1(O)CCC2(CCC(=O)N3CCCC3)C(NC(=O)c3cccs3)CC(C)(C)C2C1.
What is the InChIKey of N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide?
The InChIKey is BNNRORYFOLCHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3S/c1-22(2)16-19(25-21(28)17-7-6-14-30-17)24(11-10-23(3,29)15-18(22)24)9-8-20(27)26-12-4-5-13-26/h6-7,14,18-19,29H,4-5,8-13,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide?
N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide has a molecular weight of 432.63 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-3,3,5-trimethyl-7a-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,3a,4,6,7-hexahydroinden-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 74443472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).