[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate

C22H25FN2O5S — CID 55390148

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)ccc1F
InChIInChI=1S/C22H25FN2O5S/c1-3-25(4-2)31(28,29)19-14-16(10-13-18(19)23)22(27)30-20(15-8-6-5-7-9-15)21(26)24-17-11-12-17/h5-10,13-14,17,20H,3-4,11-12H2,1-2H3,(H,24,26)
InChIKeySVMFCLNSBNFFNX-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.03
Rot. Bonds9

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate (PubChem CID 55390148) has the molecular formula C22H25FN2O5S and a molecular weight of 448.52 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
PubChem CID55390148
Molecular FormulaC22H25FN2O5S
Molecular Weight448.52 g/mol
Exact Mass448.15
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)ccc1F
InChIInChI=1S/C22H25FN2O5S/c1-3-25(4-2)31(28,29)19-14-16(10-13-18(19)23)22(27)30-20(15-8-6-5-7-9-15)21(26)24-17-11-12-17/h5-10,13-14,17,20H,3-4,11-12H2,1-2H3,(H,24,26)
InChIKeySVMFCLNSBNFFNX-UHFFFAOYSA-N
XLogP3.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate with MolForge

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
CID 8641481
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-methoxybenzoate
CID 8600938
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 55316037
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 46824315
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate
CID 47009412
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate
CID 9415903
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(acetamidomethyl)benzoate
CID 39967455
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-chloro-3-(diethylsulfamoyl)benzoate
CID 43031545
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26534788

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate (CID 55390148) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)ccc1F.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The InChIKey is SVMFCLNSBNFFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O5S/c1-3-25(4-2)31(28,29)19-14-16(10-13-18(19)23)22(27)30-20(15-8-6-5-7-9-15)21(26)24-17-11-12-17/h5-10,13-14,17,20H,3-4,11-12H2,1-2H3,(H,24,26).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate has a molecular weight of 448.52 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 55390148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).