N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide

C21H20N2O2S — CID 136847486

IUPACN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
SMILESC/C(=N/NC(=O)CSCc1ccc2ccccc2c1)c1ccccc1O
InChIInChI=1S/C21H20N2O2S/c1-15(19-8-4-5-9-20(19)24)22-23-21(25)14-26-13-16-10-11-17-6-2-3-7-18(17)12-16/h2-12,24H,13-14H2,1H3,(H,23,25)/b22-15-
InChIKeyAYQHXVCNVFBEPA-JCMHNJIXSA-N
MW364.47 g/mol
LogP4.32
Rot. Bonds6

About N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide

N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide (PubChem CID 136847486) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
PubChem CID136847486
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
SMILESC/C(=N/NC(=O)CSCc1ccc2ccccc2c1)c1ccccc1O
InChIInChI=1S/C21H20N2O2S/c1-15(19-8-4-5-9-20(19)24)22-23-21(25)14-26-13-16-10-11-17-6-2-3-7-18(17)12-16/h2-12,24H,13-14H2,1H3,(H,23,25)/b22-15-
InChIKeyAYQHXVCNVFBEPA-JCMHNJIXSA-N
XLogP4.32
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromophenyl)methylsulfanyl]-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135627874
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 137035525
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
2-(3,4-dimethoxyphenyl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 136715309
(2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135794374
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 135421226
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914091
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135715721
N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769045
N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769058

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide (CID 136847486) is N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide is C/C(=N/NC(=O)CSCc1ccc2ccccc2c1)c1ccccc1O.
What is the InChIKey of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The InChIKey is AYQHXVCNVFBEPA-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-15(19-8-4-5-9-20(19)24)22-23-21(25)14-26-13-16-10-11-17-6-2-3-7-18(17)12-16/h2-12,24H,13-14H2,1H3,(H,23,25)/b22-15-.
What are the key properties of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide?
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(naphthalen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 136847486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).