(Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide

C10H11FN2OS — CID 70303183

IUPAC(Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide
SMILESNC(=O)/C=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C10H11FN2OS/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-5H,6,12H2,(H2,13,14)/b8-5-
InChIKeyUWRMUDGNVFTDGZ-YVMONPNESA-N
MW226.28 g/mol
LogP1.25
Rot. Bonds4

About (Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide

(Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide (PubChem CID 70303183) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is (Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide
PubChem CID70303183
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name(Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide
SMILESNC(=O)/C=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C10H11FN2OS/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-5H,6,12H2,(H2,13,14)/b8-5-
InChIKeyUWRMUDGNVFTDGZ-YVMONPNESA-N
XLogP1.25
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide?
The IUPAC name of (Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide (CID 70303183) is (Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide.
What is the SMILES notation for (Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide?
The canonical SMILES for (Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide is NC(=O)/C=C(\N)CSc1ccc(F)cc1.
What is the InChIKey of (Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide?
The InChIKey is UWRMUDGNVFTDGZ-YVMONPNESA-N. The full InChI is InChI=1S/C10H11FN2OS/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-5H,6,12H2,(H2,13,14)/b8-5-.
What are the key properties of (Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide?
(Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide has a molecular weight of 226.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide is sourced from PubChem (CID 70303183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).