N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

C26H27N3O3S — CID 46517441

IUPACN-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(C(=O)N(C)C)c3)C2c2cccs2)cc1
InChIInChI=1S/C26H27N3O3S/c1-17-9-11-20(12-10-17)29-23(30)14-13-21(24(29)22-8-5-15-33-22)25(31)27-19-7-4-6-18(16-19)26(32)28(2)3/h4-12,15-16,21,24H,13-14H2,1-3H3,(H,27,31)
InChIKeyGGAVAFAEJVPSJV-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.88
Rot. Bonds5

About N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 46517441) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID46517441
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(C(=O)N(C)C)c3)C2c2cccs2)cc1
InChIInChI=1S/C26H27N3O3S/c1-17-9-11-20(12-10-17)29-23(30)14-13-21(24(29)22-8-5-15-33-22)25(31)27-19-7-4-6-18(16-19)26(32)28(2)3/h4-12,15-16,21,24H,13-14H2,1-3H3,(H,27,31)
InChIKeyGGAVAFAEJVPSJV-UHFFFAOYSA-N
XLogP4.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (CID 46517441) is N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is Cc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(C(=O)N(C)C)c3)C2c2cccs2)cc1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is GGAVAFAEJVPSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-17-9-11-20(12-10-17)29-23(30)14-13-21(24(29)22-8-5-15-33-22)25(31)27-19-7-4-6-18(16-19)26(32)28(2)3/h4-12,15-16,21,24H,13-14H2,1-3H3,(H,27,31).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46517441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).