4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide

C24H29N3O3S — CID 53055844

IUPAC4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(-c2nc(CCN(C)S(=O)(=O)c3ccc(C4CCCCC4)cc3)no2)cc1
InChIInChI=1S/C24H29N3O3S/c1-18-8-10-21(11-9-18)24-25-23(26-30-24)16-17-27(2)31(28,29)22-14-12-20(13-15-22)19-6-4-3-5-7-19/h8-15,19H,3-7,16-17H2,1-2H3
InChIKeyKPAXWPZZFAVWHW-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.96
Rot. Bonds7

About 4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide

4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (PubChem CID 53055844) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
PubChem CID53055844
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(-c2nc(CCN(C)S(=O)(=O)c3ccc(C4CCCCC4)cc3)no2)cc1
InChIInChI=1S/C24H29N3O3S/c1-18-8-10-21(11-9-18)24-25-23(26-30-24)16-17-27(2)31(28,29)22-14-12-20(13-15-22)19-6-4-3-5-7-19/h8-15,19H,3-7,16-17H2,1-2H3
InChIKeyKPAXWPZZFAVWHW-UHFFFAOYSA-N
XLogP4.96
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (CID 53055844) is 4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is Cc1ccc(-c2nc(CCN(C)S(=O)(=O)c3ccc(C4CCCCC4)cc3)no2)cc1.
What is the InChIKey of 4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is KPAXWPZZFAVWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-18-8-10-21(11-9-18)24-25-23(26-30-24)16-17-27(2)31(28,29)22-14-12-20(13-15-22)19-6-4-3-5-7-19/h8-15,19H,3-7,16-17H2,1-2H3.
What are the key properties of 4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 439.58 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53055844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).