N-methyl-4-(2-phenylsulfanylethoxy)benzamide

C16H17NO2S — CID 53283867

IUPACN-methyl-4-(2-phenylsulfanylethoxy)benzamide
SMILESCNC(=O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-17-16(18)13-7-9-14(10-8-13)19-11-12-20-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyUYGRPANFAXLLQZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.22
Rot. Bonds6

About N-methyl-4-(2-phenylsulfanylethoxy)benzamide

N-methyl-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 53283867) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-methyl-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-methyl-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID53283867
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-methyl-4-(2-phenylsulfanylethoxy)benzamide
SMILESCNC(=O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-17-16(18)13-7-9-14(10-8-13)19-11-12-20-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyUYGRPANFAXLLQZ-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

N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
N-[(1S)-3-methyl-1-phenylbutyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 30387379
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770
N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide
CID 100728980
N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92677205
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28571355
N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28578298
N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92686107
4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887685

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-methyl-4-(2-phenylsulfanylethoxy)benzamide (CID 53283867) is N-methyl-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-methyl-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-methyl-4-(2-phenylsulfanylethoxy)benzamide is CNC(=O)c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of N-methyl-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is UYGRPANFAXLLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-17-16(18)13-7-9-14(10-8-13)19-11-12-20-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-methyl-4-(2-phenylsulfanylethoxy)benzamide?
N-methyl-4-(2-phenylsulfanylethoxy)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 N-methyl-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 53283867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).