3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide

C18H20FNO4S — CID 5177299

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCS(=O)(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H20FNO4S/c1-24-16-7-4-5-14(11-16)12-20-18(21)9-10-25(22,23)13-15-6-2-3-8-17(15)19/h2-8,11H,9-10,12-13H2,1H3,(H,20,21)
InChIKeyPKKXWOWRZIPTTJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.46
Rot. Bonds8

About 3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide

3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 5177299) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID5177299
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCS(=O)(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H20FNO4S/c1-24-16-7-4-5-14(11-16)12-20-18(21)9-10-25(22,23)13-15-6-2-3-8-17(15)19/h2-8,11H,9-10,12-13H2,1H3,(H,20,21)
InChIKeyPKKXWOWRZIPTTJ-UHFFFAOYSA-N
XLogP2.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 25162879
4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 91309670
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
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N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
3-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172563
2-(2-fluorophenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 51317159
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113121357
2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 86992957
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789204

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide (CID 5177299) is 3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)CCS(=O)(=O)Cc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is PKKXWOWRZIPTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-24-16-7-4-5-14(11-16)12-20-18(21)9-10-25(22,23)13-15-6-2-3-8-17(15)19/h2-8,11H,9-10,12-13H2,1H3,(H,20,21).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 5177299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).