N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide

C24H20N4O2S — CID 1278365

IUPACN-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H20N4O2S/c29-23(17-31-24-25-12-3-13-26-24)28-27-15-18-7-10-22(11-8-18)30-16-19-6-9-20-4-1-2-5-21(20)14-19/h1-15H,16-17H2,(H,28,29)
InChIKeyHORWSGINTYPSNF-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.45
Rot. Bonds8

About N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide

N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 1278365) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID1278365
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H20N4O2S/c29-23(17-31-24-25-12-3-13-26-24)28-27-15-18-7-10-22(11-8-18)30-16-19-6-9-20-4-1-2-5-21(20)14-19/h1-15H,16-17H2,(H,28,29)
InChIKeyHORWSGINTYPSNF-UHFFFAOYSA-N
XLogP4.45
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-(4-bromophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
CID 6880658
tert-butyl 2-[4-[[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetate
CID 1250167
N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 6385994
methyl 4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]benzoate
CID 5400623
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 19183113
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 39757047
N-[(Z)-[3-chloro-5-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 126236676
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 19194290
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 6872909
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 46300731
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049455

Frequently Asked Questions

What is the IUPAC name of N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide (CID 1278365) is N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is HORWSGINTYPSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c29-23(17-31-24-25-12-3-13-26-24)28-27-15-18-7-10-22(11-8-18)30-16-19-6-9-20-4-1-2-5-21(20)14-19/h1-15H,16-17H2,(H,28,29).
What are the key properties of N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 428.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 1278365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).