2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide

C15H21FN2O2S — CID 3923028

IUPAC2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H21FN2O2S/c1-10(19)17-13(14(20)18-15(2,3)4)9-21-12-7-5-11(16)6-8-12/h5-8,13H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyZMHZFTIJCIKMPR-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.34
Rot. Bonds5

About 2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide

2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 3923028) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID3923028
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H21FN2O2S/c1-10(19)17-13(14(20)18-15(2,3)4)9-21-12-7-5-11(16)6-8-12/h5-8,13H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyZMHZFTIJCIKMPR-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide (CID 3923028) is 2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide is CC(=O)NC(CSc1ccc(F)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is ZMHZFTIJCIKMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-10(19)17-13(14(20)18-15(2,3)4)9-21-12-7-5-11(16)6-8-12/h5-8,13H,9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide?
2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 3923028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).