N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide

C17H20N4O3S2 — CID 2592872

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H20N4O3S2/c22-16(13-25-17-18-9-4-10-19-17)20-14-5-7-15(8-6-14)26(23,24)21-11-2-1-3-12-21/h4-10H,1-3,11-13H2,(H,20,22)
InChIKeyXUAJNGJYOWEEPA-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.38
Rot. Bonds6

About N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2592872) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2592872
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H20N4O3S2/c22-16(13-25-17-18-9-4-10-19-17)20-14-5-7-15(8-6-14)26(23,24)21-11-2-1-3-12-21/h4-10H,1-3,11-13H2,(H,20,22)
InChIKeyXUAJNGJYOWEEPA-UHFFFAOYSA-N
XLogP2.38
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide 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 N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2592872) is N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is XUAJNGJYOWEEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c22-16(13-25-17-18-9-4-10-19-17)20-14-5-7-15(8-6-14)26(23,24)21-11-2-1-3-12-21/h4-10H,1-3,11-13H2,(H,20,22).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 392.51 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2592872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).