2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide

C12H16FN3O3S — CID 81183756

IUPAC2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)S(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H16FN3O3S/c1-3-15-12(18)16-11(17)7(2)20(19)10-6-8(13)4-5-9(10)14/h4-7H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyOLKHQIDXSBFYTH-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.75
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide

2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide (PubChem CID 81183756) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
PubChem CID81183756
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)S(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H16FN3O3S/c1-3-15-12(18)16-11(17)7(2)20(19)10-6-8(13)4-5-9(10)14/h4-7H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyOLKHQIDXSBFYTH-UHFFFAOYSA-N
XLogP0.75
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 61366710
2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81182077
2-(4-amino-2-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81193311
2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81183408
3-(2-amino-5-fluorophenyl)sulfinyl-N-ethylpropanamide
CID 81184008
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
4-fluoro-2-(4-methoxybutan-2-ylsulfinyl)aniline
CID 116500568
2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide
CID 81183646
2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide
CID 81182738
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-amino-4-fluorobenzoate
CID 55424594
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide (CID 81183756) is 2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)S(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
The InChIKey is OLKHQIDXSBFYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c1-3-15-12(18)16-11(17)7(2)20(19)10-6-8(13)4-5-9(10)14/h4-7H,3,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide has a molecular weight of 301.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 81183756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).