2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide

C20H23N3O6S — CID 30862218

IUPAC2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
SMILESCOc1ccc(OC)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C20H23N3O6S/c1-28-15-8-9-18(29-2)17(13-15)20(25)22-21-19(24)14-6-5-7-16(12-14)30(26,27)23-10-3-4-11-23/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOOOQGBWCZUPRSO-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.56
Rot. Bonds6

About 2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide

2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 30862218) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
PubChem CID30862218
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
SMILESCOc1ccc(OC)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C20H23N3O6S/c1-28-15-8-9-18(29-2)17(13-15)20(25)22-21-19(24)14-6-5-7-16(12-14)30(26,27)23-10-3-4-11-23/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOOOQGBWCZUPRSO-UHFFFAOYSA-N
XLogP1.56
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide 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-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 26621859
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55579424
N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9093828
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2589258
2-(2,5-dimethoxyanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824490
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide
CID 4782675
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 60597425
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
N-[1-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 53285830

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide (CID 30862218) is 2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide is COc1ccc(OC)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is OOOQGBWCZUPRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-28-15-8-9-18(29-2)17(13-15)20(25)22-21-19(24)14-6-5-7-16(12-14)30(26,27)23-10-3-4-11-23/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide?
2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 433.49 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 30862218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).