N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide

C17H18FNOS — CID 26721934

IUPACN-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCCc1ccc(NC(=O)CCSc2ccccc2F)cc1
InChIInChI=1S/C17H18FNOS/c1-2-13-7-9-14(10-8-13)19-17(20)11-12-21-16-6-4-3-5-15(16)18/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyWTBQRDXKYQFHFZ-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.51
Rot. Bonds6

About N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide

N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 26721934) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
PubChem CID26721934
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCCc1ccc(NC(=O)CCSc2ccccc2F)cc1
InChIInChI=1S/C17H18FNOS/c1-2-13-7-9-14(10-8-13)19-17(20)11-12-21-16-6-4-3-5-15(16)18/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyWTBQRDXKYQFHFZ-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26465630
N-[4-(cyanomethyl)phenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 17473184
4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
3-(2-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 16567888
3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47152940
N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567918
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
3-(2-fluorophenyl)sulfanyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55672835
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
CID 7964698
3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]butanoic acid
CID 43469420
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium
CID 8791356

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide (CID 26721934) is N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide is CCc1ccc(NC(=O)CCSc2ccccc2F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is WTBQRDXKYQFHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-2-13-7-9-14(10-8-13)19-17(20)11-12-21-16-6-4-3-5-15(16)18/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 303.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 26721934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).