2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide

C25H27NO2S — CID 22830724

IUPAC2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSCCOC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H27NO2S/c1-19-13-14-20(2)23(17-19)26-24(27)18-29-16-15-28-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,25H,15-16,18H2,1-2H3,(H,26,27)
InChIKeyGINXFVDGDAQFRA-UHFFFAOYSA-N
MW405.56 g/mol
LogP5.78
Rot. Bonds9

About 2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide

2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 22830724) has the molecular formula C25H27NO2S and a molecular weight of 405.56 g/mol. Its IUPAC name is 2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide
PubChem CID22830724
Molecular FormulaC25H27NO2S
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC Name2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSCCOC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H27NO2S/c1-19-13-14-20(2)23(17-19)26-24(27)18-29-16-15-28-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,25H,15-16,18H2,1-2H3,(H,26,27)
InChIKeyGINXFVDGDAQFRA-UHFFFAOYSA-N
XLogP5.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 82181054
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851
2-amino-3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385259
2-(2-benzhydryloxyethylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 24574661
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 8712604
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
3-benzylsulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 8797847
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 39922186
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131689
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7773023
N-(2,5-dimethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 959558

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide (CID 22830724) is 2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CSCCOC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is GINXFVDGDAQFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2S/c1-19-13-14-20(2)23(17-19)26-24(27)18-29-16-15-28-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,25H,15-16,18H2,1-2H3,(H,26,27).
What are the key properties of 2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide?
2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 405.56 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzhydryloxyethylsulfanyl)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 22830724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).