N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide

C19H23N3O4S2 — CID 3679895

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccnc1SC
InChIInChI=1S/C19H23N3O4S2/c1-26-17-9-8-14(28(24,25)22-11-4-3-5-12-22)13-16(17)21-18(23)15-7-6-10-20-19(15)27-2/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyDYONMDAVQDUGQQ-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.24
Rot. Bonds6

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 3679895) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID3679895
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccnc1SC
InChIInChI=1S/C19H23N3O4S2/c1-26-17-9-8-14(28(24,25)22-11-4-3-5-12-22)13-16(17)21-18(23)15-7-6-10-20-19(15)27-2/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyDYONMDAVQDUGQQ-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-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide (CID 3679895) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccnc1SC.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is DYONMDAVQDUGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-26-17-9-8-14(28(24,25)22-11-4-3-5-12-22)13-16(17)21-18(23)15-7-6-10-20-19(15)27-2/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(2-methoxy-5-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-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 3679895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).