2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide

C24H24N2O2S — CID 92663638

IUPAC2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
SMILESCc1cc(C)cc(CSCC(=O)N/N=C\c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O2S/c1-18-12-19(2)14-21(13-18)16-29-17-24(27)26-25-15-20-8-10-23(11-9-20)28-22-6-4-3-5-7-22/h3-15H,16-17H2,1-2H3,(H,26,27)/b25-15-
InChIKeySSRNDHASRQBQSM-MYYYXRDXSA-N
MW404.54 g/mol
LogP5.48
Rot. Bonds8

About 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide

2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide (PubChem CID 92663638) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
PubChem CID92663638
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
SMILESCc1cc(C)cc(CSCC(=O)N/N=C\c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O2S/c1-18-12-19(2)14-21(13-18)16-29-17-24(27)26-25-15-20-8-10-23(11-9-20)28-22-6-4-3-5-7-22/h3-15H,16-17H2,1-2H3,(H,26,27)/b25-15-
InChIKeySSRNDHASRQBQSM-MYYYXRDXSA-N
XLogP5.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.48
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

N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 94838596
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137172339
tert-butyl 2-[4-[[(2-benzylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetate
CID 1103505
2-[(3-bromophenyl)methylsulfanyl]-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 2261301
2-[4-[[(2-benzylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 1354200
2-[(2-methylphenyl)methylsulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6288693
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 2272601
2-[(3-bromophenyl)methylsulfanyl]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 2261303
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
2-benzylsulfanyl-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 94849963
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
N-[(4-bromophenyl)methylideneamino]-2-[(4-hydroxy-3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 2836773

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide (CID 92663638) is 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide is Cc1cc(C)cc(CSCC(=O)N/N=C\c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide?
The InChIKey is SSRNDHASRQBQSM-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-18-12-19(2)14-21(13-18)16-29-17-24(27)26-25-15-20-8-10-23(11-9-20)28-22-6-4-3-5-7-22/h3-15H,16-17H2,1-2H3,(H,26,27)/b25-15-.
What are the key properties of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide?
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide has a molecular weight of 404.54 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 92663638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).