3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

C17H26FNOS — CID 52559675

IUPAC3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCSc1ccccc1F
InChIInChI=1S/C17H26FNOS/c1-16(2,3)12-17(4,5)19-15(20)10-11-21-14-9-7-6-8-13(14)18/h6-9H,10-12H2,1-5H3,(H,19,20)
InChIKeyIPEPYNUKQJAHPN-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.64
Rot. Bonds6

About 3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 52559675) has the molecular formula C17H26FNOS and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID52559675
Molecular FormulaC17H26FNOS
Molecular Weight311.47 g/mol
Exact Mass311.17
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCSc1ccccc1F
InChIInChI=1S/C17H26FNOS/c1-16(2,3)12-17(4,5)19-15(20)10-11-21-14-9-7-6-8-13(14)18/h6-9H,10-12H2,1-5H3,(H,19,20)
InChIKeyIPEPYNUKQJAHPN-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 52559675) is 3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is CC(C)(C)CC(C)(C)NC(=O)CCSc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is IPEPYNUKQJAHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNOS/c1-16(2,3)12-17(4,5)19-15(20)10-11-21-14-9-7-6-8-13(14)18/h6-9H,10-12H2,1-5H3,(H,19,20).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 311.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 52559675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).