N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide

C20H24N2O3S2 — CID 4799260

IUPACN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O3S2/c1-16-10-11-17(21-20(23)15-26-18-8-4-2-5-9-18)14-19(16)27(24,25)22-12-6-3-7-13-22/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,21,23)
InChIKeyFVMNQZCVIVBQQA-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.90
Rot. Bonds6

About N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide (PubChem CID 4799260) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide
PubChem CID4799260
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O3S2/c1-16-10-11-17(21-20(23)15-26-18-8-4-2-5-9-18)14-19(16)27(24,25)22-12-6-3-7-13-22/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,21,23)
InChIKeyFVMNQZCVIVBQQA-UHFFFAOYSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide (CID 4799260) is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide is Cc1ccc(NC(=O)CSc2ccccc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is FVMNQZCVIVBQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-16-10-11-17(21-20(23)15-26-18-8-4-2-5-9-18)14-19(16)27(24,25)22-12-6-3-7-13-22/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,21,23).
What are the key properties of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide has a molecular weight of 404.56 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 4799260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).