2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide

C14H21NO2S — CID 78887931

IUPAC2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)C(C)SCc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-3-15(9-10-16)14(17)12(2)18-11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyNNKPKINBYWBSEG-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.15
Rot. Bonds7

About 2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide

2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide (PubChem CID 78887931) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
PubChem CID78887931
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)C(C)SCc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-3-15(9-10-16)14(17)12(2)18-11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyNNKPKINBYWBSEG-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide
CID 119581950
2-[2-benzylsulfanylpropanoyl(propan-2-yl)amino]acetic acid
CID 119198417
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 78841431
2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047
2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78897361
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044
2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one
CID 43218535
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
CID 135110171

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide (CID 78887931) is 2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide is CCN(CCO)C(=O)C(C)SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is NNKPKINBYWBSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-15(9-10-16)14(17)12(2)18-11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3.
What are the key properties of 2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide?
2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 267.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 78887931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).