2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide

C10H19F2N3O2S — CID 170416952

IUPAC2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide
SMILESCCNC(=O)C(C)(F)NC(=O)C(F)(CS)NCC
InChIInChI=1S/C10H19F2N3O2S/c1-4-13-7(16)9(3,11)15-8(17)10(12,6-18)14-5-2/h14,18H,4-6H2,1-3H3,(H,13,16)(H,15,17)
InChIKeyQDAGUINNNRCWAF-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.13
Rot. Bonds7

About 2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide

2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide (PubChem CID 170416952) has the molecular formula C10H19F2N3O2S and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide
PubChem CID170416952
Molecular FormulaC10H19F2N3O2S
Molecular Weight283.34 g/mol
Exact Mass283.12
IUPAC Name2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide
SMILESCCNC(=O)C(C)(F)NC(=O)C(F)(CS)NCC
InChIInChI=1S/C10H19F2N3O2S/c1-4-13-7(16)9(3,11)15-8(17)10(12,6-18)14-5-2/h14,18H,4-6H2,1-3H3,(H,13,16)(H,15,17)
InChIKeyQDAGUINNNRCWAF-UHFFFAOYSA-N
XLogP0.13
TPSA70.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide?
The IUPAC name of 2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide (CID 170416952) is 2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide.
What is the SMILES notation for 2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide?
The canonical SMILES for 2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide is CCNC(=O)C(C)(F)NC(=O)C(F)(CS)NCC.
What is the InChIKey of 2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide?
The InChIKey is QDAGUINNNRCWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O2S/c1-4-13-7(16)9(3,11)15-8(17)10(12,6-18)14-5-2/h14,18H,4-6H2,1-3H3,(H,13,16)(H,15,17).
What are the key properties of 2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide?
2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide has a molecular weight of 283.34 g/mol, XLogP of 0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide is sourced from PubChem (CID 170416952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).