N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide

C18H26N4O3S — CID 70675708

IUPACN-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H26N4O3S/c1-13(2)26(23,24)19-12-14-8-10-16(11-9-14)20-18-21-17(22-25-18)15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-12H2,1-2H3,(H,20,21,22)
InChIKeyBEFOLLREIRIOST-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.04
Rot. Bonds7

About N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide

N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide (PubChem CID 70675708) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
PubChem CID70675708
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H26N4O3S/c1-13(2)26(23,24)19-12-14-8-10-16(11-9-14)20-18-21-17(22-25-18)15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-12H2,1-2H3,(H,20,21,22)
InChIKeyBEFOLLREIRIOST-UHFFFAOYSA-N
XLogP3.04
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide (CID 70675708) is N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCC(Nc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The InChIKey is BEFOLLREIRIOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-13(2)26(23,24)19-12-14-8-10-16(11-9-14)20-18-21-17(22-25-18)15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-12H2,1-2H3,(H,20,21,22).
What are the key properties of N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 70675708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).