1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide

C17H18N2O3S2 — CID 55468735

IUPAC1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H18N2O3S2/c20-17(14-7-9-24(21,22)12-14)19-15-3-5-16(6-4-15)23-11-13-2-1-8-18-10-13/h1-6,8,10,14H,7,9,11-12H2,(H,19,20)
InChIKeyVWUXKXVZWMAAAI-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.75
Rot. Bonds5

About 1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide

1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide (PubChem CID 55468735) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide
PubChem CID55468735
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H18N2O3S2/c20-17(14-7-9-24(21,22)12-14)19-15-3-5-16(6-4-15)23-11-13-2-1-8-18-10-13/h1-6,8,10,14H,7,9,11-12H2,(H,19,20)
InChIKeyVWUXKXVZWMAAAI-UHFFFAOYSA-N
XLogP2.75
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-nitrophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 46668940
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542331
4-hydroxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 119838684
1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 55468628
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
CID 24644970
1,1-dioxo-N-[3-(pyridin-3-ylmethylamino)propyl]thiolane-3-carboxamide
CID 43600587
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
methyl (2R,3R,5R)-3-methyl-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]oxolane-2-carboxylate
CID 166248094
6-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24597293

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide (CID 55468735) is 1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide is O=C(Nc1ccc(SCc2cccnc2)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide?
The InChIKey is VWUXKXVZWMAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c20-17(14-7-9-24(21,22)12-14)19-15-3-5-16(6-4-15)23-11-13-2-1-8-18-10-13/h1-6,8,10,14H,7,9,11-12H2,(H,19,20).
What are the key properties of 1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide?
1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide is sourced from PubChem (CID 55468735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).