[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate

C25H23FN2O5S — CID 55524851

IUPAC[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C25H23FN2O5S/c26-20-11-13-21(14-12-20)28-34(31,32)22-8-4-7-19(15-22)25(30)33-16-23(29)27-24(18-9-10-18)17-5-2-1-3-6-17/h1-8,11-15,18,24,28H,9-10,16H2,(H,27,29)
InChIKeyIZZVVIQVHNNNHX-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.05
Rot. Bonds9

About [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate

[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate (PubChem CID 55524851) has the molecular formula C25H23FN2O5S and a molecular weight of 482.53 g/mol. Its IUPAC name is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
PubChem CID55524851
Molecular FormulaC25H23FN2O5S
Molecular Weight482.53 g/mol
Exact Mass482.13
IUPAC Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C25H23FN2O5S/c26-20-11-13-21(14-12-20)28-34(31,32)22-8-4-7-19(15-22)25(30)33-16-23(29)27-24(18-9-10-18)17-5-2-1-3-6-17/h1-8,11-15,18,24,28H,9-10,16H2,(H,27,29)
InChIKeyIZZVVIQVHNNNHX-UHFFFAOYSA-N
XLogP4.05
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]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

[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2584155
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 42967832
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2584101
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 55398552
[2-(3-fluoroanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2584096
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623650
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate
CID 55523885
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 46824315
(2-oxo-2-piperidin-1-ylethyl) 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623659
[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate
CID 55540807
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2584207
[2-(N-ethylanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623656

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
The IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate (CID 55524851) is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate is O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)NC(c1ccccc1)C1CC1.
What is the InChIKey of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
The InChIKey is IZZVVIQVHNNNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O5S/c26-20-11-13-21(14-12-20)28-34(31,32)22-8-4-7-19(15-22)25(30)33-16-23(29)27-24(18-9-10-18)17-5-2-1-3-6-17/h1-8,11-15,18,24,28H,9-10,16H2,(H,27,29).
What are the key properties of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate has a molecular weight of 482.53 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 55524851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).