N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide

C17H17FN2O4S — CID 9418010

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2ccccc2F)c(OC)c1
InChIInChI=1S/C17H17FN2O4S/c1-23-11-7-8-12(14(9-11)24-2)17(22)20-19-16(21)10-25-15-6-4-3-5-13(15)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyACIFVJMVDQRMTM-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.40
Rot. Bonds6

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide (PubChem CID 9418010) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide
PubChem CID9418010
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2ccccc2F)c(OC)c1
InChIInChI=1S/C17H17FN2O4S/c1-23-11-7-8-12(14(9-11)24-2)17(22)20-19-16(21)10-25-15-6-4-3-5-13(15)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyACIFVJMVDQRMTM-UHFFFAOYSA-N
XLogP2.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.40
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-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide
CID 18162327
4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9417984
4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9418020
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 9417849
2,4-dimethoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 793888
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide
CID 94474380
2,4-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 7978365
(7-methoxynaphthalen-2-yl) 2-(2-fluorophenyl)sulfanylacetate
CID 32996649
N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
CID 51166893
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
CID 7969751

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide (CID 9418010) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)CSc2ccccc2F)c(OC)c1.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide?
The InChIKey is ACIFVJMVDQRMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-23-11-7-8-12(14(9-11)24-2)17(22)20-19-16(21)10-25-15-6-4-3-5-13(15)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide has a molecular weight of 364.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide is sourced from PubChem (CID 9418010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).