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

C17H20N2O4S — CID 44775648

IUPAC2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cccnc1Sc1cc(OC)ccc1OC
InChIInChI=1S/C17H20N2O4S/c1-21-10-9-18-16(20)13-5-4-8-19-17(13)24-15-11-12(22-2)6-7-14(15)23-3/h4-8,11H,9-10H2,1-3H3,(H,18,20)
InChIKeyLUKRVXGTPAFBQW-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.63
Rot. Bonds8

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

2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 44775648) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID44775648
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cccnc1Sc1cc(OC)ccc1OC
InChIInChI=1S/C17H20N2O4S/c1-21-10-9-18-16(20)13-5-4-8-19-17(13)24-15-11-12(22-2)6-7-14(15)23-3/h4-8,11H,9-10H2,1-3H3,(H,18,20)
InChIKeyLUKRVXGTPAFBQW-UHFFFAOYSA-N
XLogP2.63
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.63
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

N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 46399858
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 4882766
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
6-methoxy-N-(2-methoxyethyl)quinoline-8-carboxamide
CID 175792430
2-(3,4-dimethylphenyl)sulfanyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 18161224
2-(4-bromophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 32615992
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 55662586
2-benzylsulfanyl-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 10339739
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 24512592
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 44775648) is 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1cccnc1Sc1cc(OC)ccc1OC.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is LUKRVXGTPAFBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-21-10-9-18-16(20)13-5-4-8-19-17(13)24-15-11-12(22-2)6-7-14(15)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-methoxyethyl)pyridine-3-carboxamide?
2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.63, 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-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 44775648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).