2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

C27H20ClN3O2S — CID 126223223

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
SMILESN#Cc1ccccc1COc1ccc2ccccc2c1/C=N\NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C27H20ClN3O2S/c28-22-10-12-23(13-11-22)34-18-27(32)31-30-16-25-24-8-4-3-5-19(24)9-14-26(25)33-17-21-7-2-1-6-20(21)15-29/h1-14,16H,17-18H2,(H,31,32)/b30-16-
InChIKeyNGJNQWREYDSOCB-UHBFCERESA-N
MW486.00 g/mol
LogP6.19
Rot. Bonds8

About 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (PubChem CID 126223223) has the molecular formula C27H20ClN3O2S and a molecular weight of 486.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
PubChem CID126223223
Molecular FormulaC27H20ClN3O2S
Molecular Weight486.00 g/mol
Exact Mass485.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
SMILESN#Cc1ccccc1COc1ccc2ccccc2c1/C=N\NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C27H20ClN3O2S/c28-22-10-12-23(13-11-22)34-18-27(32)31-30-16-25-24-8-4-3-5-19(24)9-14-26(25)33-17-21-7-2-1-6-20(21)15-29/h1-14,16H,17-18H2,(H,31,32)/b30-16-
InChIKeyNGJNQWREYDSOCB-UHBFCERESA-N
XLogP6.19
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.00
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126205540
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126207158
N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061178
N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6138625
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208863
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 39757015
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208862
2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 17246062
2-[[1-[(Z)-(1,1,2,2,3,3,3-heptafluoropropylhydrazinylidene)methyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 126048508
5,7-dibromo-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 21376301
[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
CID 94844311
2-(4-bromoanilino)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126355675

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (CID 126223223) is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is N#Cc1ccccc1COc1ccc2ccccc2c1/C=N\NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
The InChIKey is NGJNQWREYDSOCB-UHBFCERESA-N. The full InChI is InChI=1S/C27H20ClN3O2S/c28-22-10-12-23(13-11-22)34-18-27(32)31-30-16-25-24-8-4-3-5-19(24)9-14-26(25)33-17-21-7-2-1-6-20(21)15-29/h1-14,16H,17-18H2,(H,31,32)/b30-16-.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide has a molecular weight of 486.00 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is sourced from PubChem (CID 126223223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).