5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide

C26H35NO2S — CID 10432553

IUPAC5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide
SMILESC#CC(C)(O)CCc1ccc(C(CC)(CC)c2cc(C)c(C(=O)N(C)C)s2)cc1C
InChIInChI=1S/C26H35NO2S/c1-9-25(6,29)15-14-20-12-13-21(16-18(20)4)26(10-2,11-3)22-17-19(5)23(30-22)24(28)27(7)8/h1,12-13,16-17,29H,10-11,14-15H2,2-8H3
InChIKeyCPBNYSSELOCKBV-UHFFFAOYSA-N
MW425.64 g/mol
LogP5.49
Rot. Bonds8

About 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide

5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide (PubChem CID 10432553) has the molecular formula C26H35NO2S and a molecular weight of 425.64 g/mol. Its IUPAC name is 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide
PubChem CID10432553
Molecular FormulaC26H35NO2S
Molecular Weight425.64 g/mol
Exact Mass425.24
IUPAC Name5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide
SMILESC#CC(C)(O)CCc1ccc(C(CC)(CC)c2cc(C)c(C(=O)N(C)C)s2)cc1C
InChIInChI=1S/C26H35NO2S/c1-9-25(6,29)15-14-20-12-13-21(16-18(20)4)26(10-2,11-3)22-17-19(5)23(30-22)24(28)27(7)8/h1,12-13,16-17,29H,10-11,14-15H2,2-8H3
InChIKeyCPBNYSSELOCKBV-UHFFFAOYSA-N
XLogP5.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.64
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-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 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide?
The IUPAC name of 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide (CID 10432553) is 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide?
The canonical SMILES for 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide is C#CC(C)(O)CCc1ccc(C(CC)(CC)c2cc(C)c(C(=O)N(C)C)s2)cc1C.
What is the InChIKey of 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide?
The InChIKey is CPBNYSSELOCKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2S/c1-9-25(6,29)15-14-20-12-13-21(16-18(20)4)26(10-2,11-3)22-17-19(5)23(30-22)24(28)27(7)8/h1,12-13,16-17,29H,10-11,14-15H2,2-8H3.
What are the key properties of 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide?
5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide has a molecular weight of 425.64 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 10432553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).