N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide

C19H23FN2O4S — CID 113140419

IUPACN-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
SMILESCOc1ccccc1CCN(CCC(=O)Nc1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O4S/c1-26-18-9-4-3-6-15(18)10-12-22(27(2,24)25)13-11-19(23)21-17-8-5-7-16(20)14-17/h3-9,14H,10-13H2,1-2H3,(H,21,23)
InChIKeyPIUIIELIXLGXDM-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.67
Rot. Bonds9

About N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide

N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide (PubChem CID 113140419) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
PubChem CID113140419
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
SMILESCOc1ccccc1CCN(CCC(=O)Nc1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O4S/c1-26-18-9-4-3-6-15(18)10-12-22(27(2,24)25)13-11-19(23)21-17-8-5-7-16(20)14-17/h3-9,14H,10-13H2,1-2H3,(H,21,23)
InChIKeyPIUIIELIXLGXDM-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382
3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113141412
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
CID 113140448
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide
CID 113067650
N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139586
3-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113145922
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113138110

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide (CID 113140419) is N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide is COc1ccccc1CCN(CCC(=O)Nc1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide?
The InChIKey is PIUIIELIXLGXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-26-18-9-4-3-6-15(18)10-12-22(27(2,24)25)13-11-19(23)21-17-8-5-7-16(20)14-17/h3-9,14H,10-13H2,1-2H3,(H,21,23).
What are the key properties of N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide?
N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide has a molecular weight of 394.47 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113140419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).