N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide

C22H22N4O3S — CID 83285225

IUPACN-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cn3)CC2)cc1
InChIInChI=1S/C22H22N4O3S/c1-29-18-7-4-16(5-8-18)22(28)26-12-10-25(11-13-26)20-9-6-17(15-23-20)24-21(27)19-3-2-14-30-19/h2-9,14-15H,10-13H2,1H3,(H,24,27)
InChIKeyWJGSZJXVHPTOMT-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.37
Rot. Bonds5

About N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide

N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 83285225) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide
PubChem CID83285225
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cn3)CC2)cc1
InChIInChI=1S/C22H22N4O3S/c1-29-18-7-4-16(5-8-18)22(28)26-12-10-25(11-13-26)20-9-6-17(15-23-20)24-21(27)19-3-2-14-30-19/h2-9,14-15H,10-13H2,1H3,(H,24,27)
InChIKeyWJGSZJXVHPTOMT-UHFFFAOYSA-N
XLogP3.37
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]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-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide (CID 83285225) is N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide is COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cn3)CC2)cc1.
What is the InChIKey of N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is WJGSZJXVHPTOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-29-18-7-4-16(5-8-18)22(28)26-12-10-25(11-13-26)20-9-6-17(15-23-20)24-21(27)19-3-2-14-30-19/h2-9,14-15H,10-13H2,1H3,(H,24,27).
What are the key properties of N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 83285225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).