N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide

C18H19ClN2O3S — CID 55792231

IUPACN'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)C(C)SCc1ccccc1
InChIInChI=1S/C18H19ClN2O3S/c1-12(25-11-13-6-4-3-5-7-13)17(22)20-21-18(23)15-9-8-14(19)10-16(15)24-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJQEYXRGCSXRQFD-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.43
Rot. Bonds6

About N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide

N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide (PubChem CID 55792231) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide
PubChem CID55792231
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)C(C)SCc1ccccc1
InChIInChI=1S/C18H19ClN2O3S/c1-12(25-11-13-6-4-3-5-7-13)17(22)20-21-18(23)15-9-8-14(19)10-16(15)24-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJQEYXRGCSXRQFD-UHFFFAOYSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038324
4-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 29279191
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
CID 7784836
4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 29281321
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide
CID 55821337
4-chloro-2-methoxy-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55821592
4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide
CID 114298257
(2R)-2-benzylsulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2279420

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide?
The IUPAC name of N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide (CID 55792231) is N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide?
The canonical SMILES for N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide is COc1cc(Cl)ccc1C(=O)NNC(=O)C(C)SCc1ccccc1.
What is the InChIKey of N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide?
The InChIKey is JQEYXRGCSXRQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-12(25-11-13-6-4-3-5-7-13)17(22)20-21-18(23)15-9-8-14(19)10-16(15)24-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide?
N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide has a molecular weight of 378.88 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide is sourced from PubChem (CID 55792231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).