6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide

C22H26N4O3S2 — CID 43075419

IUPAC6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(SCc2nc(Cc3ccccc3)no2)nc1
InChIInChI=1S/C22H26N4O3S2/c1-26(18-10-6-3-7-11-18)31(27,28)19-12-13-22(23-15-19)30-16-21-24-20(25-29-21)14-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,15,18H,3,6-7,10-11,14,16H2,1H3
InChIKeyLMBKCYXSOSPBLE-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.30
Rot. Bonds8

About 6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide

6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide (PubChem CID 43075419) has the molecular formula C22H26N4O3S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide
PubChem CID43075419
Molecular FormulaC22H26N4O3S2
Molecular Weight458.61 g/mol
Exact Mass458.14
IUPAC Name6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(SCc2nc(Cc3ccccc3)no2)nc1
InChIInChI=1S/C22H26N4O3S2/c1-26(18-10-6-3-7-11-18)31(27,28)19-12-13-22(23-15-19)30-16-21-24-20(25-29-21)14-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,15,18H,3,6-7,10-11,14,16H2,1H3
InChIKeyLMBKCYXSOSPBLE-UHFFFAOYSA-N
XLogP4.30
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide with MolForge

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Related Compounds

N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide
CID 7778877
N-cyclohexyl-6-(2-hydroxy-4-phenylbutyl)sulfanyl-N-methylpyridine-3-sulfonamide
CID 154861439
5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 36807211
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
CID 7774946
N-cyclohexyl-N-methyl-6-[2-(4-methylphenoxy)ethylsulfanyl]pyridine-3-sulfonamide
CID 7491182
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40681007
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide
CID 24530973
N-cyclohexyl-6-[3-(4-fluorophenoxy)-2-hydroxypropyl]sulfanyl-N-methylpyridine-3-sulfonamide
CID 45352232
6-[(E)-4-amino-3-cyano-2-oxopent-3-enyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide
CID 16617457
N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide
CID 7491212
N-cyclohexyl-N-methyl-6-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide
CID 7491214
ethyl N-[2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetyl]carbamate
CID 7774962

Frequently Asked Questions

What is the IUPAC name of 6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide (CID 43075419) is 6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(SCc2nc(Cc3ccccc3)no2)nc1.
What is the InChIKey of 6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide?
The InChIKey is LMBKCYXSOSPBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S2/c1-26(18-10-6-3-7-11-18)31(27,28)19-12-13-22(23-15-19)30-16-21-24-20(25-29-21)14-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,15,18H,3,6-7,10-11,14,16H2,1H3.
What are the key properties of 6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide?
6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide has a molecular weight of 458.61 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclohexyl-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 43075419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).