2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

C17H20N2O3S2 — CID 60572265

IUPAC2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-2-10-24(21,22)13-17(20)19-15-5-7-16(8-6-15)23-12-14-4-3-9-18-11-14/h3-9,11H,2,10,12-13H2,1H3,(H,19,20)
InChIKeyDTFCGISWEMAAQQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.14
Rot. Bonds8

About 2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 60572265) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
PubChem CID60572265
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-2-10-24(21,22)13-17(20)19-15-5-7-16(8-6-15)23-12-14-4-3-9-18-11-14/h3-9,11H,2,10,12-13H2,1H3,(H,19,20)
InChIKeyDTFCGISWEMAAQQ-UHFFFAOYSA-N
XLogP3.14
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
2-(4-ethoxyphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 46669161
2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 55465757
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
(2S)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 79024068
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542331
3-chloro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 62727163
2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 34425182
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542410
N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55981281

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (CID 60572265) is 2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is CCCS(=O)(=O)CC(=O)Nc1ccc(SCc2cccnc2)cc1.
What is the InChIKey of 2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is DTFCGISWEMAAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-2-10-24(21,22)13-17(20)19-15-5-7-16(8-6-15)23-12-14-4-3-9-18-11-14/h3-9,11H,2,10,12-13H2,1H3,(H,19,20).
What are the key properties of 2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 60572265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).