N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide

C23H26N4O3S2 — CID 26345004

About N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide

N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide (PubChem CID 26345004) has the molecular formula C23H26N4O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide.

Molecular Properties

• Compound Name: N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
• PubChem CID: 26345004
• Molecular Formula: C23H26N4O3S2
• Molecular Weight: 470.62 g/mol
• Exact Mass: 470.14
• IUPAC Name: N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
• SMILES: O=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCC([C@H](O)c3cccs3)CC2)c1
• InChI: InChI=1S/C23H26N4O3S2/c28-21(16-32-19-5-2-1-3-6-19)25-18-13-24-27(14-18)15-22(29)26-10-8-17(9-11-26)23(30)20-7-4-12-31-20/h1-7,12-14,17,23,30H,8-11,15-16H2,(H,25,28)/t23-/m0/s1
• InChIKey: QUPQJHPEGUDXPJ-QHCPKHFHSA-N
• XLogP: 3.65
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.62
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?

The IUPAC name of N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide (CID 26345004) is N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide.

What is the SMILES notation for N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?

The canonical SMILES for N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cnn(CC(=O)N2CCC([C@H](O)c3cccs3)CC2)c1.

What is the InChIKey of N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?

The InChIKey is QUPQJHPEGUDXPJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N4O3S2/c28-21(16-32-19-5-2-1-3-6-19)25-18-13-24-27(14-18)15-22(29)26-10-8-17(9-11-26)23(30)20-7-4-12-31-20/h1-7,12-14,17,23,30H,8-11,15-16H2,(H,25,28)/t23-/m0/s1.

What are the key properties of N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?

N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide has a molecular weight of 470.62 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 26345004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).