N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide

C19H19ClN2O4S — CID 8637210

IUPACN'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O4S/c1-12(23)13-6-7-17(26-2)15(8-13)10-27-11-18(24)21-22-19(25)14-4-3-5-16(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyNIHZRCCFZBGNQD-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.25
Rot. Bonds7

About N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide

N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide (PubChem CID 8637210) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide
PubChem CID8637210
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC NameN'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O4S/c1-12(23)13-6-7-17(26-2)15(8-13)10-27-11-18(24)21-22-19(25)14-4-3-5-16(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyNIHZRCCFZBGNQD-UHFFFAOYSA-N
XLogP3.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.25
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

N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 8637344
3-chloro-N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]benzohydrazide
CID 9428063
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 24547309
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
CID 9276455
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 8574543
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide
CID 113218284
1-[3-(ethylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 43789568
1-[[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]amino]-3-cyclopentylthiourea
CID 8622261
1-[3-[(2-chlorophenyl)methylsulfanylmethyl]-4-methoxyphenyl]ethanone
CID 103600943
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
CID 7784836
1-[4-methoxy-3-(propylsulfanylmethyl)phenyl]ethanone
CID 43789572

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide (CID 8637210) is N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide is COc1ccc(C(C)=O)cc1CSCC(=O)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide?
The InChIKey is NIHZRCCFZBGNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-12(23)13-6-7-17(26-2)15(8-13)10-27-11-18(24)21-22-19(25)14-4-3-5-16(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide?
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide has a molecular weight of 406.89 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide is sourced from PubChem (CID 8637210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).