N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide

C19H23N3O4S2 — CID 4800644

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2SC)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O4S2/c1-26-16-9-8-14(21-18(23)15-7-6-10-20-19(15)27-2)13-17(16)28(24,25)22-11-4-3-5-12-22/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyINNBRWFLEQLDKT-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.24
Rot. Bonds6

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 4800644) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID4800644
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2SC)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O4S2/c1-26-16-9-8-14(21-18(23)15-7-6-10-20-19(15)27-2)13-17(16)28(24,25)22-11-4-3-5-12-22/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyINNBRWFLEQLDKT-UHFFFAOYSA-N
XLogP3.24
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide (CID 4800644) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2SC)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is INNBRWFLEQLDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-26-16-9-8-14(21-18(23)15-7-6-10-20-19(15)27-2)13-17(16)28(24,25)22-11-4-3-5-12-22/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 4800644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).