N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide

C20H31N3O6S — CID 55997867

IUPACN'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C20H31N3O6S/c1-5-12-30(26,27)23-11-7-6-8-16(23)20(25)22-21-19(24)15-9-10-17(29-14(2)3)18(13-15)28-4/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyQRIYNAPHWNFBMQ-UHFFFAOYSA-N
MW441.55 g/mol
LogP1.84
Rot. Bonds8

About N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide

N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide (PubChem CID 55997867) has the molecular formula C20H31N3O6S and a molecular weight of 441.55 g/mol. Its IUPAC name is N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide
PubChem CID55997867
Molecular FormulaC20H31N3O6S
Molecular Weight441.55 g/mol
Exact Mass441.19
IUPAC NameN'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C20H31N3O6S/c1-5-12-30(26,27)23-11-7-6-8-16(23)20(25)22-21-19(24)15-9-10-17(29-14(2)3)18(13-15)28-4/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyQRIYNAPHWNFBMQ-UHFFFAOYSA-N
XLogP1.84
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-propylsulfonylpiperidine-2-carbohydrazide
CID 55966034
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbohydrazide
CID 55616710
N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-1-propylsulfonylpiperidine-2-carbohydrazide
CID 55997742
1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24553743
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 56552352
tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate
CID 55972215
N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966193
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55543586

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide (CID 55997867) is N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide is CCCS(=O)(=O)N1CCCCC1C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide?
The InChIKey is QRIYNAPHWNFBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O6S/c1-5-12-30(26,27)23-11-7-6-8-16(23)20(25)22-21-19(24)15-9-10-17(29-14(2)3)18(13-15)28-4/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide?
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide has a molecular weight of 441.55 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-propylsulfonylpiperidine-2-carbohydrazide is sourced from PubChem (CID 55997867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).