2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide

C22H27N3O4S — CID 55883220

IUPAC2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2cccnc2SC2CCCC2)cc1
InChIInChI=1S/C22H27N3O4S/c1-3-28-16-10-12-17(13-11-16)29-15(2)20(26)24-25-21(27)19-9-6-14-23-22(19)30-18-7-4-5-8-18/h6,9-15,18H,3-5,7-8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLNRITEONCZWFGB-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.74
Rot. Bonds8

About 2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide

2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide (PubChem CID 55883220) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide
PubChem CID55883220
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2cccnc2SC2CCCC2)cc1
InChIInChI=1S/C22H27N3O4S/c1-3-28-16-10-12-17(13-11-16)29-15(2)20(26)24-25-21(27)19-9-6-14-23-22(19)30-18-7-4-5-8-18/h6,9-15,18H,3-5,7-8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLNRITEONCZWFGB-UHFFFAOYSA-N
XLogP3.74
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N'-(2-cyclopentylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343458
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide
CID 41259338
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343434
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide
CID 9343633
2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide
CID 55873414
2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 55919507
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8573954

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide (CID 55883220) is 2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)c2cccnc2SC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide?
The InChIKey is LNRITEONCZWFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-3-28-16-10-12-17(13-11-16)29-15(2)20(26)24-25-21(27)19-9-6-14-23-22(19)30-18-7-4-5-8-18/h6,9-15,18H,3-5,7-8H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide?
2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide has a molecular weight of 429.54 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N'-[2-(4-ethoxyphenoxy)propanoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 55883220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).