N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

C20H21N3O3S2 — CID 66613704

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2cccnc2s1
InChIInChI=1S/C20H21N3O3S2/c24-19(18-13-16-5-4-10-21-20(16)27-18)22-14-15-6-8-17(9-7-15)28(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H,22,24)
InChIKeyZAHSLUXLWYTCJB-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.40
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 66613704) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID66613704
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2cccnc2s1
InChIInChI=1S/C20H21N3O3S2/c24-19(18-13-16-5-4-10-21-20(16)27-18)22-14-15-6-8-17(9-7-15)28(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H,22,24)
InChIKeyZAHSLUXLWYTCJB-UHFFFAOYSA-N
XLogP3.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 66613704) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2cccnc2s1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZAHSLUXLWYTCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c24-19(18-13-16-5-4-10-21-20(16)27-18)22-14-15-6-8-17(9-7-15)28(25,26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H,22,24).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 66613704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).