2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

C15H21F2NO2S — CID 103940944

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2S/c1-15(2,3)13(6-7-19)18-14(20)9-21-10-4-5-11(16)12(17)8-10/h4-5,8,13,19H,6-7,9H2,1-3H3,(H,18,20)
InChIKeyDXGBWFHPZYTVCL-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.97
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (PubChem CID 103940944) has the molecular formula C15H21F2NO2S and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
PubChem CID103940944
Molecular FormulaC15H21F2NO2S
Molecular Weight317.40 g/mol
Exact Mass317.13
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2S/c1-15(2,3)13(6-7-19)18-14(20)9-21-10-4-5-11(16)12(17)8-10/h4-5,8,13,19H,6-7,9H2,1-3H3,(H,18,20)
InChIKeyDXGBWFHPZYTVCL-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (CID 103940944) is 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is CC(C)(C)C(CCO)NC(=O)CSc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The InChIKey is DXGBWFHPZYTVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2S/c1-15(2,3)13(6-7-19)18-14(20)9-21-10-4-5-11(16)12(17)8-10/h4-5,8,13,19H,6-7,9H2,1-3H3,(H,18,20).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide has a molecular weight of 317.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 103940944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).