[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate

C25H23FN2O5S — CID 2552929

IUPAC[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C25H23FN2O5S/c26-18-12-14-19(15-13-18)34(31,32)28-23-10-4-3-9-21(23)25(30)33-16-24(29)27-22-11-5-7-17-6-1-2-8-20(17)22/h1-4,6,8-10,12-15,22,28H,5,7,11,16H2,(H,27,29)/t22-/m0/s1
InChIKeyRHFXXGOEJVQWNA-QFIPXVFZSA-N
MW482.53 g/mol
LogP3.98
Rot. Bonds7

About [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate (PubChem CID 2552929) has the molecular formula C25H23FN2O5S and a molecular weight of 482.53 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
PubChem CID2552929
Molecular FormulaC25H23FN2O5S
Molecular Weight482.53 g/mol
Exact Mass482.13
IUPAC Name[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C25H23FN2O5S/c26-18-12-14-19(15-13-18)34(31,32)28-23-10-4-3-9-21(23)25(30)33-16-24(29)27-22-11-5-7-17-6-1-2-8-20(17)22/h1-4,6,8-10,12-15,22,28H,5,7,11,16H2,(H,27,29)/t22-/m0/s1
InChIKeyRHFXXGOEJVQWNA-QFIPXVFZSA-N
XLogP3.98
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2-hydroxyethylamino)benzoate
CID 51454589
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2584101
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-hydroxybenzoate
CID 2365675
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553266
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 4799774
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2,6-difluorobenzoate
CID 6599915
2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553121
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467899
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-hydroxy-3-methylbenzoate
CID 2578012
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552388
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891387
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873176

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate (CID 2552929) is [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate is O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is RHFXXGOEJVQWNA-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23FN2O5S/c26-18-12-14-19(15-13-18)34(31,32)28-23-10-4-3-9-21(23)25(30)33-16-24(29)27-22-11-5-7-17-6-1-2-8-20(17)22/h1-4,6,8-10,12-15,22,28H,5,7,11,16H2,(H,27,29)/t22-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate?
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 482.53 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2552929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).