2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

C14H20FNO2S — CID 54917048

IUPAC2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)CSc1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-11(2)16(8-5-9-17)14(18)10-19-13-7-4-3-6-12(13)15/h3-4,6-7,11,17H,5,8-10H2,1-2H3
InChIKeyXXMSNJIMYMZYCQ-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.54
Rot. Bonds7

About 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 54917048) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID54917048
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)CSc1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-11(2)16(8-5-9-17)14(18)10-19-13-7-4-3-6-12(13)15/h3-4,6-7,11,17H,5,8-10H2,1-2H3
InChIKeyXXMSNJIMYMZYCQ-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 54917048) is 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is CC(C)N(CCCO)C(=O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is XXMSNJIMYMZYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-11(2)16(8-5-9-17)14(18)10-19-13-7-4-3-6-12(13)15/h3-4,6-7,11,17H,5,8-10H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 285.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 54917048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).