[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate

C20H21FN2O5S — CID 8762838

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)O[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C20H21FN2O5S/c1-12-11-14(21)7-10-18(12)29(26,27)23-17-6-4-3-5-16(17)20(25)28-13(2)19(24)22-15-8-9-15/h3-7,10-11,13,15,23H,8-9H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyAGGADYILLXTBDK-CYBMUJFWSA-N
MW420.46 g/mol
LogP2.76
Rot. Bonds7

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate (PubChem CID 8762838) has the molecular formula C20H21FN2O5S and a molecular weight of 420.46 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
PubChem CID8762838
Molecular FormulaC20H21FN2O5S
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)O[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C20H21FN2O5S/c1-12-11-14(21)7-10-18(12)29(26,27)23-17-6-4-3-5-16(17)20(25)28-13(2)19(24)22-15-8-9-15/h3-7,10-11,13,15,23H,8-9H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyAGGADYILLXTBDK-CYBMUJFWSA-N
XLogP2.76
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate with MolForge

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55390190
[1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 18198922
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 9068321
(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55316027
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
CID 119386020
2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569504
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 41408334
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 2360003
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate
CID 8857036
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
CID 120829039
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16529275

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate (CID 8762838) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate is Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)O[C@H](C)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The InChIKey is AGGADYILLXTBDK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21FN2O5S/c1-12-11-14(21)7-10-18(12)29(26,27)23-17-6-4-3-5-16(17)20(25)28-13(2)19(24)22-15-8-9-15/h3-7,10-11,13,15,23H,8-9H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate has a molecular weight of 420.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 8762838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).