[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate

C25H23FN2O5S — CID 55390190

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C25H23FN2O5S/c1-16-15-18(26)11-14-22(16)34(31,32)28-21-10-6-5-9-20(21)25(30)33-23(17-7-3-2-4-8-17)24(29)27-19-12-13-19/h2-11,14-15,19,23,28H,12-13H2,1H3,(H,27,29)
InChIKeyDJOVNQFGIMDKRQ-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.11
Rot. Bonds8

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate (PubChem CID 55390190) has the molecular formula C25H23FN2O5S and a molecular weight of 482.53 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
PubChem CID55390190
Molecular FormulaC25H23FN2O5S
Molecular Weight482.53 g/mol
Exact Mass482.13
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C25H23FN2O5S/c1-16-15-18(26)11-14-22(16)34(31,32)28-21-10-6-5-9-20(21)25(30)33-23(17-7-3-2-4-8-17)24(29)27-19-12-13-19/h2-11,14-15,19,23,28H,12-13H2,1H3,(H,27,29)
InChIKeyDJOVNQFGIMDKRQ-UHFFFAOYSA-N
XLogP4.11
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 8762838
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55316027
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
CID 119386020
[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
2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569504
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methyl-5-methylsulfonylbenzoate
CID 55391996
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 46824315
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 2360003
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 18198939

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate (CID 55390190) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate is Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OC(C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The InChIKey is DJOVNQFGIMDKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O5S/c1-16-15-18(26)11-14-22(16)34(31,32)28-21-10-6-5-9-20(21)25(30)33-23(17-7-3-2-4-8-17)24(29)27-19-12-13-19/h2-11,14-15,19,23,28H,12-13H2,1H3,(H,27,29).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate has a molecular weight of 482.53 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 55390190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).