2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide

C20H17BrN2O2S — CID 164664824

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
SMILESCSc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-26-19-8-2-14(3-9-19)12-22-23-20(24)13-25-18-7-5-15-10-17(21)6-4-16(15)11-18/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyWCBVCHXXDSFLDK-WSDLNYQXSA-N
MW429.34 g/mol
LogP4.85
Rot. Bonds6

About 2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide (PubChem CID 164664824) has the molecular formula C20H17BrN2O2S and a molecular weight of 429.34 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
PubChem CID164664824
Molecular FormulaC20H17BrN2O2S
Molecular Weight429.34 g/mol
Exact Mass428.02
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
SMILESCSc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-26-19-8-2-14(3-9-19)12-22-23-20(24)13-25-18-7-5-15-10-17(21)6-4-16(15)11-18/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyWCBVCHXXDSFLDK-WSDLNYQXSA-N
XLogP4.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 3350501
2-(4-methoxyphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426289
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426403
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420731
N-[(4-methylsulfanylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 4246520
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6047889
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3358158
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide (CID 164664824) is 2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide is CSc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2)cc1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
The InChIKey is WCBVCHXXDSFLDK-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H17BrN2O2S/c1-26-19-8-2-14(3-9-19)12-22-23-20(24)13-25-18-7-5-15-10-17(21)6-4-16(15)11-18/h2-12H,13H2,1H3,(H,23,24)/b22-12+.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide has a molecular weight of 429.34 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 164664824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).