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

C17H18FNO4S — CID 86992957

IUPAC2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H18FNO4S/c1-12(24(21,22)16-9-4-3-8-15(16)18)17(20)19-11-13-6-5-7-14(10-13)23-2/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyHUFDIOIAYIGPHE-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.31
Rot. Bonds6

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

2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 86992957) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID86992957
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H18FNO4S/c1-12(24(21,22)16-9-4-3-8-15(16)18)17(20)19-11-13-6-5-7-14(10-13)23-2/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyHUFDIOIAYIGPHE-UHFFFAOYSA-N
XLogP2.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 86918589
N-[(3-methoxyphenyl)methyl]-2-(4-nitrophenyl)sulfonylpropanamide
CID 17436771
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53288405
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55576648
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 5177299
N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187724
(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 9495719
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide (CID 86992957) is 2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)C(C)S(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is HUFDIOIAYIGPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-12(24(21,22)16-9-4-3-8-15(16)18)17(20)19-11-13-6-5-7-14(10-13)23-2/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide?
2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 351.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 86992957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).