2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide

C17H18N2O5S — CID 49313212

IUPAC2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-15-6-8-16(9-7-15)24-10-11-25-12-17(20)18-13-2-4-14(5-3-13)19(21)22/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyMSXUOEZNFLCJAE-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.35
Rot. Bonds9

About 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide

2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide (PubChem CID 49313212) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide
PubChem CID49313212
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-15-6-8-16(9-7-15)24-10-11-25-12-17(20)18-13-2-4-14(5-3-13)19(21)22/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyMSXUOEZNFLCJAE-UHFFFAOYSA-N
XLogP3.35
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31089360
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 49313061
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 31544013
N-(4-methylphenyl)-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 55363585
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
methyl 4-[[2-[2-(4-methylphenoxy)ethylsulfanyl]acetyl]amino]benzoate
CID 31543376
N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089301
2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 40692341
N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089378
N-[4-[3-(4-nitrophenoxy)propylsulfanyl]phenyl]acetamide
CID 60529148
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731597

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide (CID 49313212) is 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide is COc1ccc(OCCSCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide?
The InChIKey is MSXUOEZNFLCJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-15-6-8-16(9-7-15)24-10-11-25-12-17(20)18-13-2-4-14(5-3-13)19(21)22/h2-9H,10-12H2,1H3,(H,18,20).
What are the key properties of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide?
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 49313212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).