2-methylsulfanyl-N-(2-phenoxyethyl)benzamide

C16H17NO2S — CID 26903219

IUPAC2-methylsulfanyl-N-(2-phenoxyethyl)benzamide
SMILESCSc1ccccc1C(=O)NCCOc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-20-15-10-6-5-9-14(15)16(18)17-11-12-19-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyGUPVYCYTEHMFTH-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.22
Rot. Bonds6

About 2-methylsulfanyl-N-(2-phenoxyethyl)benzamide

2-methylsulfanyl-N-(2-phenoxyethyl)benzamide (PubChem CID 26903219) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-phenoxyethyl)benzamide
PubChem CID26903219
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-methylsulfanyl-N-(2-phenoxyethyl)benzamide
SMILESCSc1ccccc1C(=O)NCCOc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-20-15-10-6-5-9-14(15)16(18)17-11-12-19-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyGUPVYCYTEHMFTH-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.22
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-ethylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 32935041
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487
1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
CID 86987075
methyl 2-[2-(3-phenoxypropylcarbamoyl)phenyl]sulfanylpropanoate
CID 55870912
N-butyl-2-methylsulfanylbenzamide
CID 59510338
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-[2-(1-adamantyloxy)ethyl]-2-methylsulfanylbenzamide
CID 3767855
2,4-difluoro-N-(2-phenoxyethyl)benzamide
CID 26676947
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide
CID 2224882
5-fluoro-2-hydroxy-N-(2-phenoxyethyl)benzamide
CID 79532175

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(2-phenoxyethyl)benzamide (CID 26903219) is 2-methylsulfanyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-phenoxyethyl)benzamide is CSc1ccccc1C(=O)NCCOc1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is GUPVYCYTEHMFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-20-15-10-6-5-9-14(15)16(18)17-11-12-19-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 2-methylsulfanyl-N-(2-phenoxyethyl)benzamide?
2-methylsulfanyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 287.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 26903219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).