N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide

C14H20FNO2S — CID 79381034

IUPACN-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CSc1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-4-16(10-14(2,3)18)13(17)9-19-12-8-6-5-7-11(12)15/h5-8,18H,4,9-10H2,1-3H3
InChIKeyLDWGWRFCIIZMKV-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.54
Rot. Bonds6

About N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide

N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 79381034) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID79381034
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CSc1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-4-16(10-14(2,3)18)13(17)9-19-12-8-6-5-7-11(12)15/h5-8,18H,4,9-10H2,1-3H3
InChIKeyLDWGWRFCIIZMKV-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79381435
N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 60623990
3-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 61007624
3-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]butanoic acid
CID 62822271
N-cyclopentyl-N-ethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 134060793
2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387561
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
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methoxy-2-phenylacetamide
CID 79380883
2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381925
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide (CID 79381034) is N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide is CCN(CC(C)(C)O)C(=O)CSc1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is LDWGWRFCIIZMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-4-16(10-14(2,3)18)13(17)9-19-12-8-6-5-7-11(12)15/h5-8,18H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide?
N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 285.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 79381034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).