N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide

C11H13FN2OS — CID 61120670

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1)C(N)=S
InChIInChI=1S/C11H13FN2OS/c1-7(11(13)16)14-10(15)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyDWVDOVHKWPHRJJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.16
Rot. Bonds4

About N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 61120670) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID61120670
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1)C(N)=S
InChIInChI=1S/C11H13FN2OS/c1-7(11(13)16)14-10(15)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyDWVDOVHKWPHRJJ-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 63044929
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 97331214
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide
CID 61120272
N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
CID 62666877
N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 113275009
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide (CID 61120670) is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide is CC(NC(=O)Cc1ccc(F)cc1)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is DWVDOVHKWPHRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c1-7(11(13)16)14-10(15)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 240.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 61120670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).