N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide

C19H20FN3O3S — CID 4792629

IUPACN-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CSc2ccccc2F)c1
InChIInChI=1S/C19H20FN3O3S/c1-12-7-13(2)9-14(8-12)19(26)21-10-17(24)22-23-18(25)11-27-16-6-4-3-5-15(16)20/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyFZZHUQDCLWFWDV-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.11
Rot. Bonds6

About N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 4792629) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID4792629
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CSc2ccccc2F)c1
InChIInChI=1S/C19H20FN3O3S/c1-12-7-13(2)9-14(8-12)19(26)21-10-17(24)22-23-18(25)11-27-16-6-4-3-5-15(16)20/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyFZZHUQDCLWFWDV-UHFFFAOYSA-N
XLogP2.11
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide (CID 4792629) is N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CSc2ccccc2F)c1.
What is the InChIKey of N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is FZZHUQDCLWFWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-12-7-13(2)9-14(8-12)19(26)21-10-17(24)22-23-18(25)11-27-16-6-4-3-5-15(16)20/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 389.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 4792629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).