[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate

C20H23N3O8S — CID 55928308

IUPAC[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
SMILESCOc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C20H23N3O8S/c1-13(23-32(27,28)15-7-5-4-6-8-15)20(26)31-12-18(24)21-22-19(25)14-9-10-16(29-2)17(11-14)30-3/h4-11,13,23H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-/m0/s1
InChIKeyFIHHTGCZDPLQAN-ZDUSSCGKSA-N
MW465.48 g/mol
LogP0.38
Rot. Bonds9

About [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate

[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate (PubChem CID 55928308) has the molecular formula C20H23N3O8S and a molecular weight of 465.48 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
PubChem CID55928308
Molecular FormulaC20H23N3O8S
Molecular Weight465.48 g/mol
Exact Mass465.12
IUPAC Name[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
SMILESCOc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C20H23N3O8S/c1-13(23-32(27,28)15-7-5-4-6-8-15)20(26)31-12-18(24)21-22-19(25)14-9-10-16(29-2)17(11-14)30-3/h4-11,13,23H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-/m0/s1
InChIKeyFIHHTGCZDPLQAN-ZDUSSCGKSA-N
XLogP0.38
TPSA149.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate 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

methyl 4-[[2-[(2S)-2-(benzenesulfonamido)propanoyl]oxyacetyl]amino]benzoate
CID 55937437
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927313
N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 46422657
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55326630
N-[1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 55348608
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928416
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927755
N'-[2-(benzylideneamino)oxyacetyl]-3,4-dimethoxybenzohydrazide
CID 3538521
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927410

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate?
The IUPAC name of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate (CID 55928308) is [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate.
What is the SMILES notation for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate?
The canonical SMILES for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate is COc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate?
The InChIKey is FIHHTGCZDPLQAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23N3O8S/c1-13(23-32(27,28)15-7-5-4-6-8-15)20(26)31-12-18(24)21-22-19(25)14-9-10-16(29-2)17(11-14)30-3/h4-11,13,23H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-/m0/s1.
What are the key properties of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate?
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate has a molecular weight of 465.48 g/mol, XLogP of 0.38, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate is sourced from PubChem (CID 55928308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).