N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide

C24H28N4O4S — CID 17358750

IUPACN-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C2CCCCC2)cc1
InChIInChI=1S/C24H28N4O4S/c1-17-8-10-19(11-9-17)24-26-23(32-27-24)16-28(21-6-4-3-5-7-21)33(30,31)22-14-12-20(13-15-22)25-18(2)29/h8-15,21H,3-7,16H2,1-2H3,(H,25,29)
InChIKeyQMSRFVPTUZCYCM-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.53
Rot. Bonds7

About N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide

N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide (PubChem CID 17358750) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
PubChem CID17358750
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C2CCCCC2)cc1
InChIInChI=1S/C24H28N4O4S/c1-17-8-10-19(11-9-17)24-26-23(32-27-24)16-28(21-6-4-3-5-7-21)33(30,31)22-14-12-20(13-15-22)25-18(2)29/h8-15,21H,3-7,16H2,1-2H3,(H,25,29)
InChIKeyQMSRFVPTUZCYCM-UHFFFAOYSA-N
XLogP4.53
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2243647
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154570
N-[4-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]phenyl]acetamide
CID 6485283
N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide
CID 6494974
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
CID 2951433
N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
CID 9356254
N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154753
4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835715
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitrobenzamide
CID 8836075
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26707676
N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 53075358
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8875131

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide (CID 17358750) is N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide?
The InChIKey is QMSRFVPTUZCYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17-8-10-19(11-9-17)24-26-23(32-27-24)16-28(21-6-4-3-5-7-21)33(30,31)22-14-12-20(13-15-22)25-18(2)29/h8-15,21H,3-7,16H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide?
N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 17358750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).