N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide

C18H21N3O3S2 — CID 7753229

IUPACN-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H21N3O3S2/c22-17(14-25-18-9-2-3-10-19-18)20-15-7-6-8-16(13-15)26(23,24)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,22)
InChIKeyDGVUXBJXBZGIGN-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.99
Rot. Bonds6

About N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 7753229) has the molecular formula C18H21N3O3S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID7753229
Molecular FormulaC18H21N3O3S2
Molecular Weight391.52 g/mol
Exact Mass391.10
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H21N3O3S2/c22-17(14-25-18-9-2-3-10-19-18)20-15-7-6-8-16(13-15)26(23,24)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,22)
InChIKeyDGVUXBJXBZGIGN-UHFFFAOYSA-N
XLogP2.99
TPSA79.37 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 16530319
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530317
2-pyridin-2-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3911051
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 4870004
N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8706804
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
N-(3-chlorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779532
2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7377209
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16573037
2-pyrazol-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 39723892
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809634

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 7753229) is N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is DGVUXBJXBZGIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S2/c22-17(14-25-18-9-2-3-10-19-18)20-15-7-6-8-16(13-15)26(23,24)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,22).
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 391.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 7753229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).