2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C19H22N2O3S2 — CID 4571967

IUPAC2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H22N2O3S2/c22-19(15-25-17-9-3-1-4-10-17)20-16-8-7-11-18(14-16)26(23,24)21-12-5-2-6-13-21/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,20,22)
InChIKeyTVZVFMYVFFTHOQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.59
Rot. Bonds6

About 2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4571967) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4571967
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H22N2O3S2/c22-19(15-25-17-9-3-1-4-10-17)20-16-8-7-11-18(14-16)26(23,24)21-12-5-2-6-13-21/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,20,22)
InChIKeyTVZVFMYVFFTHOQ-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
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N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
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2-(4-methylphenyl)sulfanyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4789030
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
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CID 7926212
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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 4571967) is 2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is O=C(CSc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is TVZVFMYVFFTHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c22-19(15-25-17-9-3-1-4-10-17)20-16-8-7-11-18(14-16)26(23,24)21-12-5-2-6-13-21/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,20,22).
What are the key properties of 2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 390.53 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4571967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).