2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide

C17H20N2O3S2 — CID 44775987

IUPAC2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Sc2ncccc2C(=O)NCCSC)c1
InChIInChI=1S/C17H20N2O3S2/c1-21-12-6-7-14(22-2)15(11-12)24-17-13(5-4-8-19-17)16(20)18-9-10-23-3/h4-8,11H,9-10H2,1-3H3,(H,18,20)
InChIKeyCDIHEDJKMXUETJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.34
Rot. Bonds8

About 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide

2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide (PubChem CID 44775987) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
PubChem CID44775987
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Sc2ncccc2C(=O)NCCSC)c1
InChIInChI=1S/C17H20N2O3S2/c1-21-12-6-7-14(22-2)15(11-12)24-17-13(5-4-8-19-17)16(20)18-9-10-23-3/h4-8,11H,9-10H2,1-3H3,(H,18,20)
InChIKeyCDIHEDJKMXUETJ-UHFFFAOYSA-N
XLogP3.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 2083057
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2093193
2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 2646355
N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093844
N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093961
[2-[[5-[(4-Fluorophenyl)carbamoyl]-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]boronic acid
CID 46896783
Ethyl 2-({5-[(4-methoxyanilino)carbonyl]-2-pyridinyl}sulfanyl)acetate
CID 1486211
4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide
CID 2874292
N-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-2-(methylsulfanyl)pyridine-3-carboxamide
CID 4800644
2-(3,4-dimethylphenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 4840415
N-(3-methoxybenzyl)-3-(1-{[2-(methylthio)-3-pyridinyl]carbonyl}-3-piperidinyl)propanamide
CID 24790150

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide (CID 44775987) is 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide is COc1ccc(OC)c(Sc2ncccc2C(=O)NCCSC)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The InChIKey is CDIHEDJKMXUETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-21-12-6-7-14(22-2)15(11-12)24-17-13(5-4-8-19-17)16(20)18-9-10-23-3/h4-8,11H,9-10H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 44775987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).