2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

C20H23N3O5S — CID 7979806

IUPAC2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CSCC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C20H23N3O5S/c1-13-5-4-6-15(7-13)21-18(24)11-29-12-19(25)22-23-20(26)14-8-16(27-2)10-17(9-14)28-3/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyNDAGXMGYXINUIN-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.15
Rot. Bonds8

About 2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 7979806) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID7979806
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CSCC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C20H23N3O5S/c1-13-5-4-6-15(7-13)21-18(24)11-29-12-19(25)22-23-20(26)14-8-16(27-2)10-17(9-14)28-3/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyNDAGXMGYXINUIN-UHFFFAOYSA-N
XLogP2.15
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide 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

N-[(4-methoxyphenyl)methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7973630
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 9496139
3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616798
N-[3-(4-methoxyphenyl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 55920650
N-(3-methylphenyl)-2-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]sulfanylacetamide
CID 29266626
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985952
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884337
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 8970699

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (CID 7979806) is 2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is COc1cc(OC)cc(C(=O)NNC(=O)CSCC(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is NDAGXMGYXINUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13-5-4-6-15(7-13)21-18(24)11-29-12-19(25)22-23-20(26)14-8-16(27-2)10-17(9-14)28-3/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 417.49 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 7979806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).