4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide

C37H36N2O3S — CID 155559876

IUPAC4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(-c3cc(C(=O)NCC4CCNCC4)sc3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H36N2O3S/c1-41-32-15-11-28(12-16-32)26-3-7-30(8-4-26)34-23-35(37(40)39-24-25-19-21-38-22-20-25)43-36(34)31-9-5-27(6-10-31)29-13-17-33(42-2)18-14-29/h3-18,23,25,38H,19-22,24H2,1-2H3,(H,39,40)
InChIKeyLVBHSMGDJXRHMW-UHFFFAOYSA-N
MW588.77 g/mol
LogP8.16
Rot. Bonds9

About 4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide

4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 155559876) has the molecular formula C37H36N2O3S and a molecular weight of 588.77 g/mol. Its IUPAC name is 4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID155559876
Molecular FormulaC37H36N2O3S
Molecular Weight588.77 g/mol
Exact Mass588.24
IUPAC Name4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(-c3cc(C(=O)NCC4CCNCC4)sc3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H36N2O3S/c1-41-32-15-11-28(12-16-32)26-3-7-30(8-4-26)34-23-35(37(40)39-24-25-19-21-38-22-20-25)43-36(34)31-9-5-27(6-10-31)29-13-17-33(42-2)18-14-29/h3-18,23,25,38H,19-22,24H2,1-2H3,(H,39,40)
InChIKeyLVBHSMGDJXRHMW-UHFFFAOYSA-N
XLogP8.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.77
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)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 4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide (CID 155559876) is 4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide is COc1ccc(-c2ccc(-c3cc(C(=O)NCC4CCNCC4)sc3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is LVBHSMGDJXRHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2O3S/c1-41-32-15-11-28(12-16-32)26-3-7-30(8-4-26)34-23-35(37(40)39-24-25-19-21-38-22-20-25)43-36(34)31-9-5-27(6-10-31)29-13-17-33(42-2)18-14-29/h3-18,23,25,38H,19-22,24H2,1-2H3,(H,39,40).
What are the key properties of 4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 588.77 g/mol, XLogP of 8.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[4-(4-methoxyphenyl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 155559876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).