2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide

C18H21NO2S — CID 2197620

IUPAC2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCSCc1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-14-7-9-15(10-8-14)13-22-12-11-19-18(20)16-5-3-4-6-17(16)21-2/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyXDVYQBYYYNFTOO-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.67
Rot. Bonds7

About 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide

2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 2197620) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
PubChem CID2197620
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCSCc1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-14-7-9-15(10-8-14)13-22-12-11-19-18(20)16-5-3-4-6-17(16)21-2/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyXDVYQBYYYNFTOO-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.67
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

CID 151183
CID 151183
CID 808577
CID 808577
CID 1928169
CID 1928169
CID 3083797
CID 3083797
CID 720058
CID 720058
CID 44270882
CID 44270882
CID 10809678
CID 10809678
CID 130431447
CID 130431447
CID 1769368
CID 1769368
CID 700577
CID 700577
CID 795920
CID 795920
CID 1245998
CID 1245998

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide (CID 2197620) is 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide is COc1ccccc1C(=O)NCCSCc1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is XDVYQBYYYNFTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-7-9-15(10-8-14)13-22-12-11-19-18(20)16-5-3-4-6-17(16)21-2/h3-10H,11-13H2,1-2H3,(H,19,20).
What are the key properties of 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 315.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 2197620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).