N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide

C19H20Cl2N2O4S — CID 24641173

IUPACN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C19H20Cl2N2O4S/c1-26-15-7-3-12(9-16(15)27-2)4-8-18(24)22-23-19(25)11-28-17-10-13(20)5-6-14(17)21/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZHQLGXVVZQKZFW-UHFFFAOYSA-N
MW443.35 g/mol
LogP3.88
Rot. Bonds8

About N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide

N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide (PubChem CID 24641173) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide
PubChem CID24641173
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC NameN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C19H20Cl2N2O4S/c1-26-15-7-3-12(9-16(15)27-2)4-8-18(24)22-23-19(25)11-28-17-10-13(20)5-6-14(17)21/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZHQLGXVVZQKZFW-UHFFFAOYSA-N
XLogP3.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
N'-[3-(3,4-dimethoxyphenyl)propanoyl]cyclopropanecarbohydrazide
CID 26798763
N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55337257
3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100597392
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 18277843
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 28631937
5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
CID 9472212
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
1-(4-chlorophenyl)ethyl 3-(3,4-dimethoxyphenyl)propanoate
CID 75981430
3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide
CID 92677216

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide?
The IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide (CID 24641173) is N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide.
What is the SMILES notation for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide?
The canonical SMILES for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide is COc1ccc(CCC(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)cc1OC.
What is the InChIKey of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide?
The InChIKey is ZHQLGXVVZQKZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-26-15-7-3-12(9-16(15)27-2)4-8-18(24)22-23-19(25)11-28-17-10-13(20)5-6-14(17)21/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide?
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide has a molecular weight of 443.35 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-(3,4-dimethoxyphenyl)propanehydrazide is sourced from PubChem (CID 24641173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).