N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide

C21H26N4O5S2 — CID 87982448

IUPACN-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide
SMILESCN1C=Cc2sccc2C1OC1CCN(S(=O)(=O)CC(c2cccnc2)N(O)C=O)CC1
InChIInChI=1S/C21H26N4O5S2/c1-23-9-6-20-18(7-12-31-20)21(23)30-17-4-10-24(11-5-17)32(28,29)14-19(25(27)15-26)16-3-2-8-22-13-16/h2-3,6-9,12-13,15,17,19,21,27H,4-5,10-11,14H2,1H3
InChIKeyOZODXVSGNZBWFD-UHFFFAOYSA-N
MW478.60 g/mol
LogP2.46
Rot. Bonds8

About N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide

N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide (PubChem CID 87982448) has the molecular formula C21H26N4O5S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide
PubChem CID87982448
Molecular FormulaC21H26N4O5S2
Molecular Weight478.60 g/mol
Exact Mass478.13
IUPAC NameN-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide
SMILESCN1C=Cc2sccc2C1OC1CCN(S(=O)(=O)CC(c2cccnc2)N(O)C=O)CC1
InChIInChI=1S/C21H26N4O5S2/c1-23-9-6-20-18(7-12-31-20)21(23)30-17-4-10-24(11-5-17)32(28,29)14-19(25(27)15-26)16-3-2-8-22-13-16/h2-3,6-9,12-13,15,17,19,21,27H,4-5,10-11,14H2,1H3
InChIKeyOZODXVSGNZBWFD-UHFFFAOYSA-N
XLogP2.46
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide?
The IUPAC name of N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide (CID 87982448) is N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide.
What is the SMILES notation for N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide?
The canonical SMILES for N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide is CN1C=Cc2sccc2C1OC1CCN(S(=O)(=O)CC(c2cccnc2)N(O)C=O)CC1.
What is the InChIKey of N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide?
The InChIKey is OZODXVSGNZBWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S2/c1-23-9-6-20-18(7-12-31-20)21(23)30-17-4-10-24(11-5-17)32(28,29)14-19(25(27)15-26)16-3-2-8-22-13-16/h2-3,6-9,12-13,15,17,19,21,27H,4-5,10-11,14H2,1H3.
What are the key properties of N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide?
N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide has a molecular weight of 478.60 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide is sourced from PubChem (CID 87982448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).