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

C22H26N4O4S2 — CID 26707676

IUPACN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C22H26N4O4S2/c1-26(18-5-3-2-4-6-18)32(28,29)19-9-7-17(8-10-19)23-20(27)11-12-21-24-22(25-30-21)16-13-14-31-15-16/h7-10,13-15,18H,2-6,11-12H2,1H3,(H,23,27)
InChIKeyFWHZIEZUQPMLAS-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.32
Rot. Bonds8

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

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 26707676) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID26707676
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C22H26N4O4S2/c1-26(18-5-3-2-4-6-18)32(28,29)19-9-7-17(8-10-19)23-20(27)11-12-21-24-22(25-30-21)16-13-14-31-15-16/h7-10,13-15,18H,2-6,11-12H2,1H3,(H,23,27)
InChIKeyFWHZIEZUQPMLAS-UHFFFAOYSA-N
XLogP4.32
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 26707676) is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1.
What is the InChIKey of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is FWHZIEZUQPMLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-26(18-5-3-2-4-6-18)32(28,29)19-9-7-17(8-10-19)23-20(27)11-12-21-24-22(25-30-21)16-13-14-31-15-16/h7-10,13-15,18H,2-6,11-12H2,1H3,(H,23,27).
What are the key properties of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 474.61 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 26707676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).