2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide

C17H19N3O4S2 — CID 4308744

IUPAC2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H19N3O4S2/c1-25-17-15(6-3-7-18-17)16(21)19-13-4-2-5-14(12-13)26(22,23)20-8-10-24-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,21)
InChIKeyXWYCBHLWAMXTIC-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.08
Rot. Bonds5

About 2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide

2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 4308744) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID4308744
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H19N3O4S2/c1-25-17-15(6-3-7-18-17)16(21)19-13-4-2-5-14(12-13)26(22,23)20-8-10-24-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,21)
InChIKeyXWYCBHLWAMXTIC-UHFFFAOYSA-N
XLogP2.08
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide (CID 4308744) is 2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is XWYCBHLWAMXTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-25-17-15(6-3-7-18-17)16(21)19-13-4-2-5-14(12-13)26(22,23)20-8-10-24-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,21).
What are the key properties of 2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 4308744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).