4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide

C22H27F2N3O4S — CID 20629387

IUPAC4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccnc2Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H27F2N3O4S/c1-22(2,3)32(29,30)27-16-9-6-14(7-10-16)20(28)26-18-5-4-12-25-21(18)31-19-11-8-15(23)13-17(19)24/h4-5,8,11-14,16,27H,6-7,9-10H2,1-3H3,(H,26,28)
InChIKeyZPKOOBIBKKZULG-UHFFFAOYSA-N
MW467.54 g/mol
LogP4.37
Rot. Bonds6

About 4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide

4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 20629387) has the molecular formula C22H27F2N3O4S and a molecular weight of 467.54 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide
PubChem CID20629387
Molecular FormulaC22H27F2N3O4S
Molecular Weight467.54 g/mol
Exact Mass467.17
IUPAC Name4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccnc2Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H27F2N3O4S/c1-22(2,3)32(29,30)27-16-9-6-14(7-10-16)20(28)26-18-5-4-12-25-21(18)31-19-11-8-15(23)13-17(19)24/h4-5,8,11-14,16,27H,6-7,9-10H2,1-3H3,(H,26,28)
InChIKeyZPKOOBIBKKZULG-UHFFFAOYSA-N
XLogP4.37
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
CID 20629063
4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 20629671
N-anthracen-1-yl-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20629356
4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674408
N-(4-butoxy-2-hydroxyphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630419
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 56757836
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-(2,4-difluorophenoxy)pyridine
CID 160960084
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide
CID 20630750
(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200428
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200429

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide (CID 20629387) is 4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccnc2Oc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is ZPKOOBIBKKZULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O4S/c1-22(2,3)32(29,30)27-16-9-6-14(7-10-16)20(28)26-18-5-4-12-25-21(18)31-19-11-8-15(23)13-17(19)24/h4-5,8,11-14,16,27H,6-7,9-10H2,1-3H3,(H,26,28).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 467.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20629387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).