oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide

C22H28N2O5S — CID 86736486

IUPACoxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)N1CCC(N(C(=O)Cc2cccs2)c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H26N2OS.C2H2O4/c1-16(2)21-12-10-18(11-13-21)22(17-7-4-3-5-8-17)20(23)15-19-9-6-14-24-19;3-1(4)2(5)6/h3-9,14,16,18H,10-13,15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYNBRZIVOYFNSQY-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.35
Rot. Bonds5

About oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide

oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide (PubChem CID 86736486) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Nameoxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
PubChem CID86736486
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Nameoxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)N1CCC(N(C(=O)Cc2cccs2)c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H26N2OS.C2H2O4/c1-16(2)21-12-10-18(11-13-21)22(17-7-4-3-5-8-17)20(23)15-19-9-6-14-24-19;3-1(4)2(5)6/h3-9,14,16,18H,10-13,15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyYNBRZIVOYFNSQY-UHFFFAOYSA-N
XLogP3.35
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide 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 oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide (CID 86736486) is oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide is CC(C)N1CCC(N(C(=O)Cc2cccs2)c2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
The InChIKey is YNBRZIVOYFNSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS.C2H2O4/c1-16(2)21-12-10-18(11-13-21)22(17-7-4-3-5-8-17)20(23)15-19-9-6-14-24-19;3-1(4)2(5)6/h3-9,14,16,18H,10-13,15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide?
oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide has a molecular weight of 432.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 86736486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).