tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate

C23H26FN5O4S — CID 90326401

IUPACtert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C23H26FN5O4S/c1-23(2,3)33-22(30)26-10-11-29-34(31,32)20-7-5-4-6-16(20)15-8-9-17(18(24)12-15)19-13-28-21(25)14-27-19/h4-9,12-14,29H,10-11H2,1-3H3,(H2,25,28)(H,26,30)
InChIKeyBXRXHDPTIPNNOX-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.33
Rot. Bonds7

About tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate

tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate (PubChem CID 90326401) has the molecular formula C23H26FN5O4S and a molecular weight of 487.56 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate
PubChem CID90326401
Molecular FormulaC23H26FN5O4S
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Nametert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C23H26FN5O4S/c1-23(2,3)33-22(30)26-10-11-29-34(31,32)20-7-5-4-6-16(20)15-8-9-17(18(24)12-15)19-13-28-21(25)14-27-19/h4-9,12-14,29H,10-11H2,1-3H3,(H2,25,28)(H,26,30)
InChIKeyBXRXHDPTIPNNOX-UHFFFAOYSA-N
XLogP3.33
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate 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

tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-2-[(2S,4R)-4-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]-5-hydroxy-3,3-dimethylpentan-2-yl]-5-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate
CID 138711775
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(cyclobutylmethyl)benzenesulfonamide
CID 90312981
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide
CID 135360356
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide
CID 130368214
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;sulfane
CID 158522609
tert-butyl N-[2-[(2-amino-5-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932760
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide
CID 90313025
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol
CID 90314151
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-N-methylbenzenesulfonamide
CID 134231963
2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide
CID 90313870
N-[6-[6-amino-3-[4-[2-[(4-aminocyclohexyl)sulfamoyl]phenyl]-2-fluorophenyl]pyrazin-2-yl]-6-hydroxyhexyl]-2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide
CID 123704314
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide
CID 90313395

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate (CID 90326401) is tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.
What is the InChIKey of tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate?
The InChIKey is BXRXHDPTIPNNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S/c1-23(2,3)33-22(30)26-10-11-29-34(31,32)20-7-5-4-6-16(20)15-8-9-17(18(24)12-15)19-13-28-21(25)14-27-19/h4-9,12-14,29H,10-11H2,1-3H3,(H2,25,28)(H,26,30).
What are the key properties of tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate?
tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate has a molecular weight of 487.56 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylamino]ethyl]carbamate is sourced from PubChem (CID 90326401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).