3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide

C18H21FN2O3S — CID 119951982

IUPAC3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)CC(N)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H21FN2O3S/c1-12(14-8-9-17(15(19)10-14)25(2,23)24)21-18(22)11-16(20)13-6-4-3-5-7-13/h3-10,12,16H,11,20H2,1-2H3,(H,21,22)
InChIKeyGGOLPKFSRODEOM-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.50
Rot. Bonds6

About 3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide

3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide (PubChem CID 119951982) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide
PubChem CID119951982
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)CC(N)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H21FN2O3S/c1-12(14-8-9-17(15(19)10-14)25(2,23)24)21-18(22)11-16(20)13-6-4-3-5-7-13/h3-10,12,16H,11,20H2,1-2H3,(H,21,22)
InChIKeyGGOLPKFSRODEOM-UHFFFAOYSA-N
XLogP2.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]butanamide;hydrochloride
CID 119801244
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119801225
3,3-diethoxy-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]propanamide
CID 102562820
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
(2S)-2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylbutanamide
CID 119333678
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
(2S)-2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119801231
2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide
CID 119801243
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951139
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428
4-[3-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119186415
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide (CID 119951982) is 3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide is CC(NC(=O)CC(N)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of 3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is GGOLPKFSRODEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12(14-8-9-17(15(19)10-14)25(2,23)24)21-18(22)11-16(20)13-6-4-3-5-7-13/h3-10,12,16H,11,20H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide?
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 364.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119951982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).