2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide

C19H29FN2O2S — CID 3946917

IUPAC2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCCCCC(CC)CNC(=O)C(CSc1ccc(F)cc1)NC(C)=O
InChIInChI=1S/C19H29FN2O2S/c1-4-6-7-15(5-2)12-21-19(24)18(22-14(3)23)13-25-17-10-8-16(20)9-11-17/h8-11,15,18H,4-7,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyWHUQXIWPBXCLCK-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.76
Rot. Bonds11

About 2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide

2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 3946917) has the molecular formula C19H29FN2O2S and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID3946917
Molecular FormulaC19H29FN2O2S
Molecular Weight368.52 g/mol
Exact Mass368.19
IUPAC Name2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCCCCC(CC)CNC(=O)C(CSc1ccc(F)cc1)NC(C)=O
InChIInChI=1S/C19H29FN2O2S/c1-4-6-7-15(5-2)12-21-19(24)18(22-14(3)23)13-25-17-10-8-16(20)9-11-17/h8-11,15,18H,4-7,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyWHUQXIWPBXCLCK-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide (CID 3946917) is 2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide is CCCCC(CC)CNC(=O)C(CSc1ccc(F)cc1)NC(C)=O.
What is the InChIKey of 2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is WHUQXIWPBXCLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2S/c1-4-6-7-15(5-2)12-21-19(24)18(22-14(3)23)13-25-17-10-8-16(20)9-11-17/h8-11,15,18H,4-7,12-13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide?
2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 368.52 g/mol, XLogP of 3.76, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-ethylhexyl)-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 3946917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).