N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide

C18H17FN2OS — CID 9410856

IUPACN-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)N/N=C1/CCc2ccccc2C1
InChIInChI=1S/C18H17FN2OS/c19-16-7-3-4-8-17(16)23-12-18(22)21-20-15-10-9-13-5-1-2-6-14(13)11-15/h1-8H,9-12H2,(H,21,22)/b20-15-
InChIKeyLGTXDKBRPSJCLD-HKWRFOASSA-N
MW328.41 g/mol
LogP3.58
Rot. Bonds4

About N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide

N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 9410856) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID9410856
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC NameN-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)N/N=C1/CCc2ccccc2C1
InChIInChI=1S/C18H17FN2OS/c19-16-7-3-4-8-17(16)23-12-18(22)21-20-15-10-9-13-5-1-2-6-14(13)11-15/h1-8H,9-12H2,(H,21,22)/b20-15-
InChIKeyLGTXDKBRPSJCLD-HKWRFOASSA-N
XLogP3.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea
CID 5467984
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 8879674
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-thiophen-2-ylacetamide
CID 9410892
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 9410602
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
1-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(4-fluorophenyl)thiourea
CID 9410649
N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 24641284
2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 39965228
(2S)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 61152911
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
N'-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9410894

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide (CID 9410856) is N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)N/N=C1/CCc2ccccc2C1.
What is the InChIKey of N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is LGTXDKBRPSJCLD-HKWRFOASSA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-16-7-3-4-8-17(16)23-12-18(22)21-20-15-10-9-13-5-1-2-6-14(13)11-15/h1-8H,9-12H2,(H,21,22)/b20-15-.
What are the key properties of N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide?
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 328.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 9410856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).