4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide

C14H21FN2OS — CID 43303366

IUPAC4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCSc1ccc(N)cc1F
InChIInChI=1S/C14H21FN2OS/c1-3-17(4-2)14(18)6-5-9-19-13-8-7-11(16)10-12(13)15/h7-8,10H,3-6,9,16H2,1-2H3
InChIKeyMGALRXZNBNPPGR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.15
Rot. Bonds7

About 4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide

4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide (PubChem CID 43303366) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide
PubChem CID43303366
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCSc1ccc(N)cc1F
InChIInChI=1S/C14H21FN2OS/c1-3-17(4-2)14(18)6-5-9-19-13-8-7-11(16)10-12(13)15/h7-8,10H,3-6,9,16H2,1-2H3
InChIKeyMGALRXZNBNPPGR-UHFFFAOYSA-N
XLogP3.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide 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 4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide?
The IUPAC name of 4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide (CID 43303366) is 4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide.
What is the SMILES notation for 4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide?
The canonical SMILES for 4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide is CCN(CC)C(=O)CCCSc1ccc(N)cc1F.
What is the InChIKey of 4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide?
The InChIKey is MGALRXZNBNPPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-3-17(4-2)14(18)6-5-9-19-13-8-7-11(16)10-12(13)15/h7-8,10H,3-6,9,16H2,1-2H3.
What are the key properties of 4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide?
4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide has a molecular weight of 284.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenyl)sulfanyl-N,N-diethylbutanamide is sourced from PubChem (CID 43303366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).