[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate

C19H20FNO5S — CID 7624083

IUPAC[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate
SMILESC[C@H](OC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H20FNO5S/c1-14(19(23)21(2)16-6-4-3-5-7-16)26-18(22)12-13-27(24,25)17-10-8-15(20)9-11-17/h3-11,14H,12-13H2,1-2H3/t14-/m0/s1
InChIKeySDXFHWXPZMJGLP-AWEZNQCLSA-N
MW393.44 g/mol
LogP2.58
Rot. Bonds7

About [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate

[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate (PubChem CID 7624083) has the molecular formula C19H20FNO5S and a molecular weight of 393.44 g/mol. Its IUPAC name is [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate
PubChem CID7624083
Molecular FormulaC19H20FNO5S
Molecular Weight393.44 g/mol
Exact Mass393.10
IUPAC Name[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate
SMILESC[C@H](OC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H20FNO5S/c1-14(19(23)21(2)16-6-4-3-5-7-16)26-18(22)12-13-27(24,25)17-10-8-15(20)9-11-17/h3-11,14H,12-13H2,1-2H3/t14-/m0/s1
InChIKeySDXFHWXPZMJGLP-AWEZNQCLSA-N
XLogP2.58
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Oxo-1-(phenylamino)-3-(phenylsulfonyl)butan-2-yl acetate
CID 663942
[2-(2,5-Difluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2381508
(2-Anilino-2-oxoethyl) 3-(benzenesulfonyl)propanoate
CID 9362063
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16495895
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CID 2449283
[2-(5-Fluoro-2-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 9119695
[2-(N-methylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16495976
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylsulfanylpropanoate
CID 16531158
[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16495959
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 24978728
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(benzenesulfonyl)propanoate
CID 25163231
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16289987

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate?
The IUPAC name of [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate (CID 7624083) is [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate.
What is the SMILES notation for [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate?
The canonical SMILES for [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate is C[C@H](OC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate?
The InChIKey is SDXFHWXPZMJGLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FNO5S/c1-14(19(23)21(2)16-6-4-3-5-7-16)26-18(22)12-13-27(24,25)17-10-8-15(20)9-11-17/h3-11,14H,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate?
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate has a molecular weight of 393.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate is sourced from PubChem (CID 7624083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).