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

C15H21FN2OS — CID 79148883

IUPAC2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
SMILESCC(Sc1cc(F)ccc1N)C(=O)NC1CCCCC1
InChIInChI=1S/C15H21FN2OS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-9-11(16)7-8-13(14)17/h7-10,12H,2-6,17H2,1H3,(H,18,19)
InChIKeyVMPXSMJSRFPCGV-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.34
Rot. Bonds4

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

2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide (PubChem CID 79148883) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
PubChem CID79148883
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
SMILESCC(Sc1cc(F)ccc1N)C(=O)NC1CCCCC1
InChIInChI=1S/C15H21FN2OS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-9-11(16)7-8-13(14)17/h7-10,12H,2-6,17H2,1H3,(H,18,19)
InChIKeyVMPXSMJSRFPCGV-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.34
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-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79141100
(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870587
2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide
CID 79518105
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975280
2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81183408
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
2-(2-amino-5-fluorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 79148707
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 81193113
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide
CID 43300055
2-(2-amino-5-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 79144117
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide (CID 79148883) is 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide is CC(Sc1cc(F)ccc1N)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide?
The InChIKey is VMPXSMJSRFPCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-9-11(16)7-8-13(14)17/h7-10,12H,2-6,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide?
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide has a molecular weight of 296.41 g/mol, XLogP of 3.34, 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-cyclohexylpropanamide is sourced from PubChem (CID 79148883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).