N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide

C24H24N2O3S — CID 24733655

IUPACN-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccc(-c4cccs4)c3)CC2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17(27)25-20-9-7-18(8-10-20)24(28)26-13-11-21(12-14-26)29-22-5-2-4-19(16-22)23-6-3-15-30-23/h2-10,15-16,21H,11-14H2,1H3,(H,25,27)
InChIKeyDEJXJKBDXDEMAH-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.06
Rot. Bonds5

About N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide

N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 24733655) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID24733655
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccc(-c4cccs4)c3)CC2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17(27)25-20-9-7-18(8-10-20)24(28)26-13-11-21(12-14-26)29-22-5-2-4-19(16-22)23-6-3-15-30-23/h2-10,15-16,21H,11-14H2,1H3,(H,25,27)
InChIKeyDEJXJKBDXDEMAH-UHFFFAOYSA-N
XLogP5.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide (CID 24733655) is N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccc(-c4cccs4)c3)CC2)cc1.
What is the InChIKey of N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is DEJXJKBDXDEMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-17(27)25-20-9-7-18(8-10-20)24(28)26-13-11-21(12-14-26)29-22-5-2-4-19(16-22)23-6-3-15-30-23/h2-10,15-16,21H,11-14H2,1H3,(H,25,27).
What are the key properties of N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide?
N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 420.53 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 24733655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).