N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide

C20H25N3O6S — CID 24637660

IUPACN-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H25N3O6S/c1-13-5-6-18(9-14(13)2)30(26,27)21-8-7-19(24)22-23-20(25)15-10-16(28-3)12-17(11-15)29-4/h5-6,9-12,21H,7-8H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHTDLBLKQMCIKAN-UHFFFAOYSA-N
MW435.50 g/mol
LogP1.45
Rot. Bonds8

About N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide

N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 24637660) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
PubChem CID24637660
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H25N3O6S/c1-13-5-6-18(9-14(13)2)30(26,27)21-8-7-19(24)22-23-20(25)15-10-16(28-3)12-17(11-15)29-4/h5-6,9-12,21H,7-8H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHTDLBLKQMCIKAN-UHFFFAOYSA-N
XLogP1.45
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methoxybenzohydrazide
CID 135298611
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
CID 135298667
3-methoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 4374682
3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide
CID 5025592
N'-naphthalen-2-ylsulfonyl-3-propoxybenzohydrazide
CID 155518274
3-ethoxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 155521406
3-Methoxy-N'-(4-methylbenzenesulfonyl)benzohydrazide
CID 813097
4-bromo-N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4787666
N'-(benzenesulfonyl)-3-methoxybenzohydrazide
CID 813049
N'-(4-Fluorobenzenesulfonyl)-3,5-dimethoxybenzohydrazide
CID 1103458
N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2445888
N1,N1-dipropyl-4-{[2-(3,4,5-trimethoxybenzoyl)hydrazino]carbonyl}benzene-1-sulfonamide
CID 2803375

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide (CID 24637660) is N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide is COc1cc(OC)cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is HTDLBLKQMCIKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-13-5-6-18(9-14(13)2)30(26,27)21-8-7-19(24)22-23-20(25)15-10-16(28-3)12-17(11-15)29-4/h5-6,9-12,21H,7-8H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide?
N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 435.50 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 24637660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).