N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide

C11H15FN2O2S — CID 66116080

IUPACN-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
SMILESNc1ccc(F)c(NC(=O)CSCCCO)c1
InChIInChI=1S/C11H15FN2O2S/c12-9-3-2-8(13)6-10(9)14-11(16)7-17-5-1-4-15/h2-3,6,15H,1,4-5,7,13H2,(H,14,16)
InChIKeyHJFXXBUBGXZWQI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.46
Rot. Bonds6

About N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide

N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide (PubChem CID 66116080) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
PubChem CID66116080
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
SMILESNc1ccc(F)c(NC(=O)CSCCCO)c1
InChIInChI=1S/C11H15FN2O2S/c12-9-3-2-8(13)6-10(9)14-11(16)7-17-5-1-4-15/h2-3,6,15H,1,4-5,7,13H2,(H,14,16)
InChIKeyHJFXXBUBGXZWQI-UHFFFAOYSA-N
XLogP1.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66115840
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114723
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate
CID 43617946
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127421
N-(5-amino-2-methylphenyl)-3-(3-hydroxypropylsulfanyl)propanamide
CID 66114935
N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
CID 107748600
N-(5-amino-2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198108
N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide
CID 28979241

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide (CID 66116080) is N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide is Nc1ccc(F)c(NC(=O)CSCCCO)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The InChIKey is HJFXXBUBGXZWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c12-9-3-2-8(13)6-10(9)14-11(16)7-17-5-1-4-15/h2-3,6,15H,1,4-5,7,13H2,(H,14,16).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide is sourced from PubChem (CID 66116080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).