5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide

C24H25N3O6S — CID 46521441

IUPAC5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C24H25N3O6S/c28-23(18-8-7-11-21(16-18)34(30,31)27-14-5-2-6-15-27)25-26-24(29)22-13-12-20(33-22)17-32-19-9-3-1-4-10-19/h1,3-4,7-13,16H,2,5-6,14-15,17H2,(H,25,28)(H,26,29)
InChIKeyXVXXODDRXAYKMQ-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.11
Rot. Bonds7

About 5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide

5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide (PubChem CID 46521441) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide
PubChem CID46521441
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C24H25N3O6S/c28-23(18-8-7-11-21(16-18)34(30,31)27-14-5-2-6-15-27)25-26-24(29)22-13-12-20(33-22)17-32-19-9-3-1-4-10-19/h1,3-4,7-13,16H,2,5-6,14-15,17H2,(H,25,28)(H,26,29)
InChIKeyXVXXODDRXAYKMQ-UHFFFAOYSA-N
XLogP3.11
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.11
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

N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
1-[3-(phenoxymethyl)phenyl]sulfonylazepane
CID 71691343
N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9187490
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 31289277
3-(azepan-1-ylsulfonyl)-N'-[2-(4-chlorophenyl)acetyl]benzohydrazide
CID 34572984
3-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]benzamide
CID 53285754
5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
CID 55788976
1-benzyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 26837613
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
N'-[2-(4-methylphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29205480
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 31667574
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide?
The IUPAC name of 5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide (CID 46521441) is 5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide is O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide?
The InChIKey is XVXXODDRXAYKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c28-23(18-8-7-11-21(16-18)34(30,31)27-14-5-2-6-15-27)25-26-24(29)22-13-12-20(33-22)17-32-19-9-3-1-4-10-19/h1,3-4,7-13,16H,2,5-6,14-15,17H2,(H,25,28)(H,26,29).
What are the key properties of 5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide?
5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide has a molecular weight of 483.55 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 46521441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).