2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide

C17H18N2O5S — CID 2218454

IUPAC2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C17H18N2O5S/c1-23-9-10-25-16-6-4-3-5-13(16)17(20)18-14-11-12(19(21)22)7-8-15(14)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeySSIWIVMEJXRHTA-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.59
Rot. Bonds8

About 2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide

2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide (PubChem CID 2218454) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide
PubChem CID2218454
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C17H18N2O5S/c1-23-9-10-25-16-6-4-3-5-13(16)17(20)18-14-11-12(19(21)22)7-8-15(14)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeySSIWIVMEJXRHTA-UHFFFAOYSA-N
XLogP3.59
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide (CID 2218454) is 2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide is COCCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide?
The InChIKey is SSIWIVMEJXRHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-9-10-25-16-6-4-3-5-13(16)17(20)18-14-11-12(19(21)22)7-8-15(14)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide?
2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide has a molecular weight of 362.41 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 2218454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).