N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide

C17H18FNO2S — CID 7731614

IUPACN-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide
SMILESO=C(CSCCCOc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c18-14-7-9-15(10-8-14)19-17(20)13-22-12-4-11-21-16-5-2-1-3-6-16/h1-3,5-10H,4,11-13H2,(H,19,20)
InChIKeyLZDHOWCBNVJMQE-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.97
Rot. Bonds8

About N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide

N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide (PubChem CID 7731614) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide
PubChem CID7731614
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide
SMILESO=C(CSCCCOc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c18-14-7-9-15(10-8-14)19-17(20)13-22-12-4-11-21-16-5-2-1-3-6-16/h1-3,5-10H,4,11-13H2,(H,19,20)
InChIKeyLZDHOWCBNVJMQE-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)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

2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731597
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
2-[6-[2-(4-anilinoanilino)-2-oxoethyl]sulfanylhexylsulfanyl]-N-(4-anilinophenyl)acetamide
CID 126713457
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
CID 40545696
N-(1,3-benzodioxol-5-yl)-2-(2-phenoxyethylsulfanyl)acetamide
CID 4794988
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide
CID 4994531
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid
CID 43237542

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide (CID 7731614) is N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide is O=C(CSCCCOc1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide?
The InChIKey is LZDHOWCBNVJMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-14-7-9-15(10-8-14)19-17(20)13-22-12-4-11-21-16-5-2-1-3-6-16/h1-3,5-10H,4,11-13H2,(H,19,20).
What are the key properties of N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide?
N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide has a molecular weight of 319.40 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide is sourced from PubChem (CID 7731614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).