N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide

C15H23NO2S — CID 111596437

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)C(C)Sc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-5-16(11-15(3,4)18)14(17)12(2)19-13-9-7-6-8-10-13/h6-10,12,18H,5,11H2,1-4H3
InChIKeyDLZVPMMWAVDXNY-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.79
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide (PubChem CID 111596437) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide
PubChem CID111596437
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)C(C)Sc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-5-16(11-15(3,4)18)14(17)12(2)19-13-9-7-6-8-10-13/h6-10,12,18H,5,11H2,1-4H3
InChIKeyDLZVPMMWAVDXNY-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methoxy-2-phenylacetamide
CID 79380883
N,N-diethyl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347576
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
CID 107032116
2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide
CID 43117358
N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide
CID 3933523
2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772031
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111596655
2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78897361
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)propanamide
CID 79378283
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 79389720
N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 111596787

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide (CID 111596437) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide is CCN(CC(C)(C)O)C(=O)C(C)Sc1ccccc1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide?
The InChIKey is DLZVPMMWAVDXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-5-16(11-15(3,4)18)14(17)12(2)19-13-9-7-6-8-10-13/h6-10,12,18H,5,11H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide has a molecular weight of 281.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 111596437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).