N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

C18H19ClFNO3S — CID 5177075

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNO3S/c19-16-7-5-14(6-8-16)9-11-21-18(22)10-12-25(23,24)13-15-3-1-2-4-17(15)20/h1-8H,9-13H2,(H,21,22)
InChIKeySOJVQPVXTKMKQO-UHFFFAOYSA-N
MW383.87 g/mol
LogP3.14
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (PubChem CID 5177075) has the molecular formula C18H19ClFNO3S and a molecular weight of 383.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
PubChem CID5177075
Molecular FormulaC18H19ClFNO3S
Molecular Weight383.87 g/mol
Exact Mass383.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNO3S/c19-16-7-5-14(6-8-16)9-11-21-18(22)10-12-25(23,24)13-15-3-1-2-4-17(15)20/h1-8H,9-13H2,(H,21,22)
InChIKeySOJVQPVXTKMKQO-UHFFFAOYSA-N
XLogP3.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorobenzyl)thio]-N-(2-phenylethyl)acetamide
CID 961752
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 5055551
2-[(2R)-2-[(S)-benzylsulfinyl]-4-oxoazetidin-1-yl]-N-[6-(4-chlorophenyl)hexyl]acetamide
CID 67586212
2-((bis(4-chlorophenyl)methyl)thio)-N-(3-phenylpropyl)acetamide
CID 76332747
2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2210190
2-(4-Chlorophenyl)-N-(2-((4-chlorophenyl)sulfinyl)ethyl)acetamide
CID 1489579
N-(2-((4-Chlorophenyl)sulfinyl)ethyl)-2-phenylacetamide
CID 1489581
N-{2-[(2-chloro-6-fluorobenzyl)thio]ethyl}-3-phenylpropanamide
CID 2210668
3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
CID 2265248
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 2265253
N-{2-[(4-chlorobenzyl)thio]ethyl}-2-phenylacetamide
CID 2278688

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (CID 5177075) is N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The InChIKey is SOJVQPVXTKMKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3S/c19-16-7-5-14(6-8-16)9-11-21-18(22)10-12-25(23,24)13-15-3-1-2-4-17(15)20/h1-8H,9-13H2,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide has a molecular weight of 383.87 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 5177075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).