N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide

C18H26FN5O3S — CID 70675732

IUPACN-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(F)cn3)no2)CC1
InChIInChI=1S/C18H26FN5O3S/c1-18(2,3)28(25,26)21-10-12-4-7-14(8-5-12)22-17-23-16(24-27-17)15-9-6-13(19)11-20-15/h6,9,11-12,14,21H,4-5,7-8,10H2,1-3H3,(H,22,23,24)
InChIKeyYVMZUHMQKYRJHD-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.96
Rot. Bonds6

About N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide

N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide (PubChem CID 70675732) has the molecular formula C18H26FN5O3S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide
PubChem CID70675732
Molecular FormulaC18H26FN5O3S
Molecular Weight411.50 g/mol
Exact Mass411.17
IUPAC NameN-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(F)cn3)no2)CC1
InChIInChI=1S/C18H26FN5O3S/c1-18(2,3)28(25,26)21-10-12-4-7-14(8-5-12)22-17-23-16(24-27-17)15-9-6-13(19)11-20-15/h6,9,11-12,14,21H,4-5,7-8,10H2,1-3H3,(H,22,23,24)
InChIKeyYVMZUHMQKYRJHD-UHFFFAOYSA-N
XLogP2.96
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide (CID 70675732) is N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3ccc(F)cn3)no2)CC1.
What is the InChIKey of N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide?
The InChIKey is YVMZUHMQKYRJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5O3S/c1-18(2,3)28(25,26)21-10-12-4-7-14(8-5-12)22-17-23-16(24-27-17)15-9-6-13(19)11-20-15/h6,9,11-12,14,21H,4-5,7-8,10H2,1-3H3,(H,22,23,24).
What are the key properties of N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide?
N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide has a molecular weight of 411.50 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70675732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).