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

C23H29N3O5S — CID 26187390

IUPAC4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29N3O5S/c1-2-31-20-11-9-19(10-12-20)23(28)25-24-22(27)15-8-18-6-13-21(14-7-18)32(29,30)26-16-4-3-5-17-26/h6-7,9-14H,2-5,8,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyZUUDCMDDCCHUEZ-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.65
Rot. Bonds8

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

4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide (PubChem CID 26187390) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
PubChem CID26187390
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H29N3O5S/c1-2-31-20-11-9-19(10-12-20)23(28)25-24-22(27)15-8-18-6-13-21(14-7-18)32(29,30)26-16-4-3-5-17-26/h6-7,9-14H,2-5,8,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyZUUDCMDDCCHUEZ-UHFFFAOYSA-N
XLogP2.65
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
methyl 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]cyclopentane-1-carboxylate
CID 55561591
methyl 1-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]cyclopentane-1-carboxylate
CID 55560788
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-tert-butylbenzamide
CID 38255263
N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 43948606
N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 4786821
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide?
The IUPAC name of 4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide (CID 26187390) is 4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide?
The InChIKey is ZUUDCMDDCCHUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-2-31-20-11-9-19(10-12-20)23(28)25-24-22(27)15-8-18-6-13-21(14-7-18)32(29,30)26-16-4-3-5-17-26/h6-7,9-14H,2-5,8,15-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide?
4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide has a molecular weight of 459.57 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide is sourced from PubChem (CID 26187390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).