2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C18H21N3O3S2 — CID 24598159

IUPAC2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESNC(=O)C(Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1
InChIInChI=1S/C18H21N3O3S2/c19-18(22)17(14-7-3-1-4-8-14)25-16-10-9-15(13-20-16)26(23,24)21-11-5-2-6-12-21/h1,3-4,7-10,13,17H,2,5-6,11-12H2,(H2,19,22)
InChIKeyRMTWRZPSDFHDLE-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.57
Rot. Bonds6

About 2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 24598159) has the molecular formula C18H21N3O3S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID24598159
Molecular FormulaC18H21N3O3S2
Molecular Weight391.52 g/mol
Exact Mass391.10
IUPAC Name2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESNC(=O)C(Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1
InChIInChI=1S/C18H21N3O3S2/c19-18(22)17(14-7-3-1-4-8-14)25-16-10-9-15(13-20-16)26(23,24)21-11-5-2-6-12-21/h1,3-4,7-10,13,17H,2,5-6,11-12H2,(H2,19,22)
InChIKeyRMTWRZPSDFHDLE-UHFFFAOYSA-N
XLogP2.57
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of 2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 24598159) is 2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for 2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for 2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is NC(=O)C(Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is RMTWRZPSDFHDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S2/c19-18(22)17(14-7-3-1-4-8-14)25-16-10-9-15(13-20-16)26(23,24)21-11-5-2-6-12-21/h1,3-4,7-10,13,17H,2,5-6,11-12H2,(H2,19,22).
What are the key properties of 2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 24598159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).