2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide

C12H16FN3OS — CID 60729755

IUPAC2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1F)CC(N)=S
InChIInChI=1S/C12H16FN3OS/c1-2-16(7-11(14)18)8-12(17)15-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyDHIWVOWBAAJCCL-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.37
Rot. Bonds6

About 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide

2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide (PubChem CID 60729755) has the molecular formula C12H16FN3OS and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide
PubChem CID60729755
Molecular FormulaC12H16FN3OS
Molecular Weight269.34 g/mol
Exact Mass269.10
IUPAC Name2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1F)CC(N)=S
InChIInChI=1S/C12H16FN3OS/c1-2-16(7-11(14)18)8-12(17)15-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyDHIWVOWBAAJCCL-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide
CID 60729665
2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113246293
2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008384
2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide
CID 60685820
2-(N-ethyl-2,4-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 78903764
N'-(2-fluorophenyl)propanediamide
CID 70002209
2-[ethylsulfonyl(methyl)amino]-N-(2-fluorophenyl)acetamide
CID 99818124
N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 2464527
N-(2-fluorophenyl)butanamide
CID 849021
3-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987825
N-(2-fluorophenyl)-N',N'-dipropylpropanediamide
CID 108952439
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide
CID 135808434

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide (CID 60729755) is 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide is CCN(CC(=O)Nc1ccccc1F)CC(N)=S.
What is the InChIKey of 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide?
The InChIKey is DHIWVOWBAAJCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3OS/c1-2-16(7-11(14)18)8-12(17)15-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide?
2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide has a molecular weight of 269.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 60729755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).