N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide

C15H23NOS — CID 78841431

IUPACN,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide
SMILESCCN(CC)C(=O)C(C)SCc1ccccc1C
InChIInChI=1S/C15H23NOS/c1-5-16(6-2)15(17)13(4)18-11-14-10-8-7-9-12(14)3/h7-10,13H,5-6,11H2,1-4H3
InChIKeyPXZHATJOFHQLLG-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.49
Rot. Bonds6

About N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide

N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide (PubChem CID 78841431) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide
PubChem CID78841431
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide
SMILESCCN(CC)C(=O)C(C)SCc1ccccc1C
InChIInChI=1S/C15H23NOS/c1-5-16(6-2)15(17)13(4)18-11-14-10-8-7-9-12(14)3/h7-10,13H,5-6,11H2,1-4H3
InChIKeyPXZHATJOFHQLLG-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78887931
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
CID 115659346
3-amino-2-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 64695857
(2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 7654903
1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
CID 8972263
N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155
2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide
CID 43117358
(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propan-1-one
CID 8886211
(2-methylphenyl)methyl N,N-diethylcarbamate
CID 127519687
N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide
CID 79204952
2-methyl-4-[(2-methylphenyl)methylsulfanyl]-2-(propylamino)pentanoic acid
CID 64702935

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The IUPAC name of N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide (CID 78841431) is N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The canonical SMILES for N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide is CCN(CC)C(=O)C(C)SCc1ccccc1C.
What is the InChIKey of N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The InChIKey is PXZHATJOFHQLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-5-16(6-2)15(17)13(4)18-11-14-10-8-7-9-12(14)3/h7-10,13H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide?
N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide has a molecular weight of 265.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 78841431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).