2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide

C11H13FN2OS — CID 79148805

IUPAC2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide
SMILESNc1ccc(F)cc1SCC(=O)NC1CC1
InChIInChI=1S/C11H13FN2OS/c12-7-1-4-9(13)10(5-7)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6,13H2,(H,14,15)
InChIKeyNXANAIFJLVYKNW-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.78
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide

2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide (PubChem CID 79148805) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide
PubChem CID79148805
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide
SMILESNc1ccc(F)cc1SCC(=O)NC1CC1
InChIInChI=1S/C11H13FN2OS/c12-7-1-4-9(13)10(5-7)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6,13H2,(H,14,15)
InChIKeyNXANAIFJLVYKNW-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.78
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

3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 79147919
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 79128505
2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide
CID 79533636
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 43249136
2-(2-amino-5-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 79148601
2-(2-amino-4-methylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 55181885
2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 43249110
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79126482
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 8871168
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128503
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide (CID 79148805) is 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide is Nc1ccc(F)cc1SCC(=O)NC1CC1.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide?
The InChIKey is NXANAIFJLVYKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-7-1-4-9(13)10(5-7)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6,13H2,(H,14,15).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide?
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide has a molecular weight of 240.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 79148805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).