N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide

C15H22FNO2S — CID 79381435

IUPACN-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCSc1ccccc1F
InChIInChI=1S/C15H22FNO2S/c1-4-17(11-15(2,3)19)14(18)9-10-20-13-8-6-5-7-12(13)16/h5-8,19H,4,9-11H2,1-3H3
InChIKeyBVSNZTJOIKJQPB-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.93
Rot. Bonds7

About N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide

N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 79381435) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID79381435
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC NameN-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCSc1ccccc1F
InChIInChI=1S/C15H22FNO2S/c1-4-17(11-15(2,3)19)14(18)9-10-20-13-8-6-5-7-12(13)16/h5-8,19H,4,9-11H2,1-3H3
InChIKeyBVSNZTJOIKJQPB-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381034
N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 60623990
N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide
CID 55593466
3-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 61007624
3-[3-(2-fluorophenyl)sulfanylpropanoyl-propan-2-ylamino]propanoic acid
CID 60831415
3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 111596500
ethyl 4-(2-fluorophenyl)sulfanylbutanoate
CID 78846357
2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381431
N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858682
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 79386743
2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381925
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide (CID 79381435) is N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide is CCN(CC(C)(C)O)C(=O)CCSc1ccccc1F.
What is the InChIKey of N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is BVSNZTJOIKJQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-4-17(11-15(2,3)19)14(18)9-10-20-13-8-6-5-7-12(13)16/h5-8,19H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide?
N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 299.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 79381435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).