2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide

C12H13F3N2O2S — CID 81174688

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
SMILESNc1cc(C(F)(F)F)ccc1S(=O)CC(=O)NC1CC1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)7-1-4-10(9(16)5-7)20(19)6-11(18)17-8-2-3-8/h1,4-5,8H,2-3,6,16H2,(H,17,18)
InChIKeySJSLXWNXWMBGFG-UHFFFAOYSA-N
MW306.31 g/mol
LogP1.67
Rot. Bonds4

About 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide

2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide (PubChem CID 81174688) has the molecular formula C12H13F3N2O2S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
PubChem CID81174688
Molecular FormulaC12H13F3N2O2S
Molecular Weight306.31 g/mol
Exact Mass306.06
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
SMILESNc1cc(C(F)(F)F)ccc1S(=O)CC(=O)NC1CC1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)7-1-4-10(9(16)5-7)20(19)6-11(18)17-8-2-3-8/h1,4-5,8H,2-3,6,16H2,(H,17,18)
InChIKeySJSLXWNXWMBGFG-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide
CID 81175290
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81176174
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropylpropanamide
CID 62626845
2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
CID 81207741
2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide
CID 61366715
4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
CID 79378514
2-(2,2,2-trifluoroethylsulfinyl)-5-(trifluoromethyl)aniline
CID 81176557
2-(2-aminophenyl)sulfinyl-N-(oxan-4-yl)acetamide
CID 63098374
5-(trifluoromethyl)-2-(3,3,3-trifluoropropylsulfinyl)aniline
CID 81176043
2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide
CID 81201540
6-[2-amino-4-(trifluoromethyl)phenyl]sulfinylhexan-1-ol
CID 107707391
2-(4-amino-2-bromophenyl)sulfinyl-N-cyclopentylacetamide
CID 82833917

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide (CID 81174688) is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide is Nc1cc(C(F)(F)F)ccc1S(=O)CC(=O)NC1CC1.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide?
The InChIKey is SJSLXWNXWMBGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2S/c13-12(14,15)7-1-4-10(9(16)5-7)20(19)6-11(18)17-8-2-3-8/h1,4-5,8H,2-3,6,16H2,(H,17,18).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide?
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide has a molecular weight of 306.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide is sourced from PubChem (CID 81174688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).