N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide

C22H22FNO2S — CID 18269193

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NCCSCc1ccccc1F
InChIInChI=1S/C22H22FNO2S/c23-20-9-5-4-8-18(20)16-27-15-14-24-22(25)13-11-19-10-12-21(26-19)17-6-2-1-3-7-17/h1-10,12H,11,13-16H2,(H,24,25)
InChIKeyLICOYRFWECZZTA-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.07
Rot. Bonds9

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 18269193) has the molecular formula C22H22FNO2S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID18269193
Molecular FormulaC22H22FNO2S
Molecular Weight383.49 g/mol
Exact Mass383.14
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NCCSCc1ccccc1F
InChIInChI=1S/C22H22FNO2S/c23-20-9-5-4-8-18(20)16-27-15-14-24-22(25)13-11-19-10-12-21(26-19)17-6-2-1-3-7-17/h1-10,12H,11,13-16H2,(H,24,25)
InChIKeyLICOYRFWECZZTA-UHFFFAOYSA-N
XLogP5.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 46451070
2-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242104
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46673381
N-(3-phenoxypropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 18120278
3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 8743818
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 18288048
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-N-methylbenzamide
CID 55567664
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-phenoxyethyl)propanamide
CID 32934045
3-(5-phenylfuran-2-yl)-N-(2-phenylpropyl)propanamide
CID 42907748
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 8743519
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide (CID 18269193) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide is O=C(CCc1ccc(-c2ccccc2)o1)NCCSCc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is LICOYRFWECZZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO2S/c23-20-9-5-4-8-18(20)16-27-15-14-24-22(25)13-11-19-10-12-21(26-19)17-6-2-1-3-7-17/h1-10,12H,11,13-16H2,(H,24,25).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 383.49 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 18269193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).