2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

C16H23FN2O3S — CID 51683459

IUPAC2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@H](c1ccc(F)cc1)N(C)CC(=O)N[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C16H23FN2O3S/c1-12(13-4-6-14(17)7-5-13)19(3)10-15(20)18-16(2)8-9-23(21,22)11-16/h4-7,12H,8-11H2,1-3H3,(H,18,20)/t12-,16+/m0/s1
InChIKeyJFLIUXGHAHHPJB-BLLLJJGKSA-N
MW342.44 g/mol
LogP1.51
Rot. Bonds5

About 2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 51683459) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID51683459
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@H](c1ccc(F)cc1)N(C)CC(=O)N[C@]1(C)CCS(=O)(=O)C1
InChIInChI=1S/C16H23FN2O3S/c1-12(13-4-6-14(17)7-5-13)19(3)10-15(20)18-16(2)8-9-23(21,22)11-16/h4-7,12H,8-11H2,1-3H3,(H,18,20)/t12-,16+/m0/s1
InChIKeyJFLIUXGHAHHPJB-BLLLJJGKSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide with MolForge

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Related Compounds

2-[[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839849
2-[methyl-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197672
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(4-propan-2-ylphenoxy)propanamide
CID 95151921
2-(3-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 25473740
2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78761765
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7951647
2-[1-(4-fluorophenyl)ethyl-methylamino]-N-prop-2-ynylacetamide
CID 47014928
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301864
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
2-chloro-4-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 78790417
2-(benzhydrylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46603209

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 51683459) is 2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is C[C@@H](c1ccc(F)cc1)N(C)CC(=O)N[C@]1(C)CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is JFLIUXGHAHHPJB-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-12(13-4-6-14(17)7-5-13)19(3)10-15(20)18-16(2)8-9-23(21,22)11-16/h4-7,12H,8-11H2,1-3H3,(H,18,20)/t12-,16+/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 51683459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).