N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide

C21H24N4O2S — CID 1187950

IUPACN-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccccn3)CC2)c1C
InChIInChI=1S/C21H24N4O2S/c1-15-16(2)28-21(23-20(26)18-6-5-13-27-18)17(15)14-24-9-11-25(12-10-24)19-7-3-4-8-22-19/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyJVCOZJLKHRVZMW-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.93
Rot. Bonds5

About N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide

N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 1187950) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID1187950
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccccn3)CC2)c1C
InChIInChI=1S/C21H24N4O2S/c1-15-16(2)28-21(23-20(26)18-6-5-13-27-18)17(15)14-24-9-11-25(12-10-24)19-7-3-4-8-22-19/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyJVCOZJLKHRVZMW-UHFFFAOYSA-N
XLogP3.93
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-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-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide (CID 1187950) is N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide is Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccccn3)CC2)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is JVCOZJLKHRVZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-15-16(2)28-21(23-20(26)18-6-5-13-27-18)17(15)14-24-9-11-25(12-10-24)19-7-3-4-8-22-19/h3-8,13H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1187950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).