N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide

C12H15FN2OS — CID 55033721

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(CC(N)=S)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15FN2OS/c1-8(6-11(14)17)15-12(16)7-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyYOILAMISCJANOJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.55
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 55033721) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID55033721
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(CC(N)=S)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15FN2OS/c1-8(6-11(14)17)15-12(16)7-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyYOILAMISCJANOJ-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 61120670
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 62092603
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 97331214
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62505107
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
CID 62666877
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
CID 62092047
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluorobenzamide
CID 62094599
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride
CID 119822491

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide (CID 55033721) is N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide is CC(CC(N)=S)NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is YOILAMISCJANOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c1-8(6-11(14)17)15-12(16)7-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 55033721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).