N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide

C19H23NO2S — CID 92686107

IUPACN,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide
SMILESCCN(CC)C(=O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-3-20(4-2)19(21)16-10-12-17(13-11-16)22-14-15-23-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3
InChIKeyXHOCSGJRRYIFAO-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.34
Rot. Bonds8

About N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide

N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 92686107) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID92686107
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide
SMILESCCN(CC)C(=O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-3-20(4-2)19(21)16-10-12-17(13-11-16)22-14-15-23-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3
InChIKeyXHOCSGJRRYIFAO-UHFFFAOYSA-N
XLogP4.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
N-[(4-chlorophenyl)methyl]-N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 38000614
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770
N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909345
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355
4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887685

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide (CID 92686107) is N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide is CCN(CC)C(=O)c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is XHOCSGJRRYIFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-3-20(4-2)19(21)16-10-12-17(13-11-16)22-14-15-23-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide?
N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 329.47 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 92686107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).