N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide

C19H22FNOS — CID 47005981

IUPACN-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide
SMILESCC(NC(=O)CSCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNOS/c1-15(17-9-11-18(20)12-10-17)21-19(22)14-23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,21,22)
InChIKeyMRYKMBZRFWIYAV-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.37
Rot. Bonds8

About N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide

N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide (PubChem CID 47005981) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide
PubChem CID47005981
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide
SMILESCC(NC(=O)CSCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNOS/c1-15(17-9-11-18(20)12-10-17)21-19(22)14-23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,21,22)
InChIKeyMRYKMBZRFWIYAV-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)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-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874
N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 132650849
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28956969
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81228466
2-[(4-bromophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28634214
2-amino-4-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylbutanoic acid
CID 60920875
2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 66229426
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide (CID 47005981) is N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide is CC(NC(=O)CSCCCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide?
The InChIKey is MRYKMBZRFWIYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-15(17-9-11-18(20)12-10-17)21-19(22)14-23-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,21,22).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide is sourced from PubChem (CID 47005981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).