4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide

C23H36FN3O4S — CID 20630049

IUPAC4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide
SMILESCC1CN(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(F)c2)CC(C)O1
InChIInChI=1S/C23H36FN3O4S/c1-15-13-27(14-16(2)31-15)19-10-11-21(20(24)12-19)25-22(28)17-6-8-18(9-7-17)26-32(29,30)23(3,4)5/h10-12,15-18,26H,6-9,13-14H2,1-5H3,(H,25,28)
InChIKeyBTRJXQBYVMBIJU-UHFFFAOYSA-N
MW469.62 g/mol
LogP3.65
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide

4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide (PubChem CID 20630049) has the molecular formula C23H36FN3O4S and a molecular weight of 469.62 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide
PubChem CID20630049
Molecular FormulaC23H36FN3O4S
Molecular Weight469.62 g/mol
Exact Mass469.24
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide
SMILESCC1CN(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(F)c2)CC(C)O1
InChIInChI=1S/C23H36FN3O4S/c1-15-13-27(14-16(2)31-15)19-10-11-21(20(24)12-19)25-22(28)17-6-8-18(9-7-17)26-32(29,30)23(3,4)5/h10-12,15-18,26H,6-9,13-14H2,1-5H3,(H,25,28)
InChIKeyBTRJXQBYVMBIJU-UHFFFAOYSA-N
XLogP3.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.62
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide (CID 20630049) is 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide is CC1CN(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(F)c2)CC(C)O1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide?
The InChIKey is BTRJXQBYVMBIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FN3O4S/c1-15-13-27(14-16(2)31-15)19-10-11-21(20(24)12-19)25-22(28)17-6-8-18(9-7-17)26-32(29,30)23(3,4)5/h10-12,15-18,26H,6-9,13-14H2,1-5H3,(H,25,28).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide has a molecular weight of 469.62 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20630049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).