5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide

C23H22N2O2S — CID 35277770

IUPAC5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C23H22N2O2S/c26-22(21-14-13-20(28-21)17-9-3-1-4-10-17)24-19-12-6-5-11-18(19)23(27)25-15-7-2-8-16-25/h1,3-6,9-14H,2,7-8,15-16H2,(H,24,26)
InChIKeyVCQFTFRUJJLTSI-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.29
Rot. Bonds4

About 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide

5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 35277770) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID35277770
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C23H22N2O2S/c26-22(21-14-13-20(28-21)17-9-3-1-4-10-17)24-19-12-6-5-11-18(19)23(27)25-15-7-2-8-16-25/h1,3-6,9-14H,2,7-8,15-16H2,(H,24,26)
InChIKeyVCQFTFRUJJLTSI-UHFFFAOYSA-N
XLogP5.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 35277770) is 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccccc2)s1.
What is the InChIKey of 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is VCQFTFRUJJLTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-22(21-14-13-20(28-21)17-9-3-1-4-10-17)24-19-12-6-5-11-18(19)23(27)25-15-7-2-8-16-25/h1,3-6,9-14H,2,7-8,15-16H2,(H,24,26).
What are the key properties of 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 35277770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).