N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide

C21H25N3O4S — CID 9414906

IUPACN'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O4S/c25-20(22-23-21(26)18-7-3-1-4-8-18)14-11-17-9-12-19(13-10-17)29(27,28)24-15-5-2-6-16-24/h1,3-4,7-10,12-13H,2,5-6,11,14-16H2,(H,22,25)(H,23,26)
InChIKeyWJSVTPYRXZVTKV-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.26
Rot. Bonds6

About N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide

N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide (PubChem CID 9414906) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
PubChem CID9414906
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)c1ccccc1
InChIInChI=1S/C21H25N3O4S/c25-20(22-23-21(26)18-7-3-1-4-8-18)14-11-17-9-12-19(13-10-17)29(27,28)24-15-5-2-6-16-24/h1,3-4,7-10,12-13H,2,5-6,11,14-16H2,(H,22,25)(H,23,26)
InChIKeyWJSVTPYRXZVTKV-UHFFFAOYSA-N
XLogP2.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 26187390
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 29169317
N'-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684358
4-methyl-2-phenyl-N'-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]-1,3-thiazole-5-carbohydrazide
CID 25440191
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17468734
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
N-(2-benzylsulfanylethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27861128
N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]benzohydrazide
CID 6071604
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide?
The IUPAC name of N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide (CID 9414906) is N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide?
The canonical SMILES for N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide?
The InChIKey is WJSVTPYRXZVTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c25-20(22-23-21(26)18-7-3-1-4-8-18)14-11-17-9-12-19(13-10-17)29(27,28)24-15-5-2-6-16-24/h1,3-4,7-10,12-13H,2,5-6,11,14-16H2,(H,22,25)(H,23,26).
What are the key properties of N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide?
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide has a molecular weight of 415.52 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide is sourced from PubChem (CID 9414906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).