N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide

C22H25N3O2S — CID 5310347

IUPACN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H25N3O2S/c1-17(23-22(26)19-9-5-15-27-19)21(20-10-6-16-28-20)25-13-11-24(12-14-25)18-7-3-2-4-8-18/h2-10,15-17,21H,11-14H2,1H3,(H,23,26)
InChIKeyWHNZMWHKFAUTNW-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.02
Rot. Bonds6

About N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide

N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide (PubChem CID 5310347) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
PubChem CID5310347
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H25N3O2S/c1-17(23-22(26)19-9-5-15-27-19)21(20-10-6-16-28-20)25-13-11-24(12-14-25)18-7-3-2-4-8-18/h2-10,15-17,21H,11-14H2,1H3,(H,23,26)
InChIKeyWHNZMWHKFAUTNW-UHFFFAOYSA-N
XLogP4.02
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-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-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide (CID 5310347) is N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide?
The InChIKey is WHNZMWHKFAUTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-17(23-22(26)19-9-5-15-27-19)21(20-10-6-16-28-20)25-13-11-24(12-14-25)18-7-3-2-4-8-18/h2-10,15-17,21H,11-14H2,1H3,(H,23,26).
What are the key properties of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide?
N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 5310347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).