N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide

C18H21NO2S — CID 2218434

IUPACN-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H21NO2S/c1-13-10-14(2)12-15(11-13)19-18(20)16-6-4-5-7-17(16)22-9-8-21-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)
InChIKeyMHTAAZFSKJMLLM-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.29
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide

N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide (PubChem CID 2218434) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide
PubChem CID2218434
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H21NO2S/c1-13-10-14(2)12-15(11-13)19-18(20)16-6-4-5-7-17(16)22-9-8-21-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)
InChIKeyMHTAAZFSKJMLLM-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.29
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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide (CID 2218434) is N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide is COCCSc1ccccc1C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide?
The InChIKey is MHTAAZFSKJMLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-10-14(2)12-15(11-13)19-18(20)16-6-4-5-7-17(16)22-9-8-21-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide?
N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide has a molecular weight of 315.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide is sourced from PubChem (CID 2218434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).