2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide

C15H22FNO2S — CID 71787594

IUPAC2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
SMILESCC(C)(C)C(O)CCNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2S/c1-15(2,3)13(18)8-9-17-14(19)10-20-12-6-4-11(16)5-7-12/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyGHONSYLKKBLRBL-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide (PubChem CID 71787594) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
PubChem CID71787594
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
SMILESCC(C)(C)C(O)CCNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2S/c1-15(2,3)13(18)8-9-17-14(19)10-20-12-6-4-11(16)5-7-12/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyGHONSYLKKBLRBL-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)-3-(phenylthio)propanamide
CID 71787593
N-[2-(4-fluorophenyl)sulfinylethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 315512
2-((4-fluorophenyl)thio)-N-((1-(hydroxymethyl)cyclopropyl)methyl)acetamide
CID 49739144
N-(2-cyclohexyl-2-hydroxyethyl)-2-((4-fluorophenyl)thio)acetamide
CID 71782115
2-[(4-fluorophenyl)sulfanyl]-N-(3-hydroxycyclohexyl)acetamide
CID 71786217
2-((4-fluorophenyl)thio)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787191
N-[2-[p-Fluorophenylthio]ethyl]-4-hydroxybutyramide
CID 593020
Pantoylaminoathyl-phenylsulfid
CID 129627928
2,2,2-trifluoro-N-(2-hydroxy-3-phenylsulfanylpropyl)acetamide
CID 13777309
2,2,2-trifluoro-N-(3-hydroxy-2-phenylsulfanylpropyl)acetamide
CID 13777310
2-(4-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide
CID 43389132
2-(2-fluorophenyl)sulfanyl-N-(4-hydroxycyclohexyl)acetamide
CID 43389139

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide (CID 71787594) is 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide is CC(C)(C)C(O)CCNC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide?
The InChIKey is GHONSYLKKBLRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-15(2,3)13(18)8-9-17-14(19)10-20-12-6-4-11(16)5-7-12/h4-7,13,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide has a molecular weight of 299.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide is sourced from PubChem (CID 71787594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).