N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

C23H26N4O3S — CID 52713219

IUPACN-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCN(C(=O)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1)C1CCCCC1
InChIInChI=1S/C23H26N4O3S/c1-27(18-6-3-2-4-7-18)23(29)16-9-11-17(12-10-16)24-20(28)13-14-21-25-22(26-30-21)19-8-5-15-31-19/h5,8-12,15,18H,2-4,6-7,13-14H2,1H3,(H,24,28)
InChIKeyNLDGYKLZDPYMEP-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.77
Rot. Bonds7

About N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide

N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (PubChem CID 52713219) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
PubChem CID52713219
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
SMILESCN(C(=O)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1)C1CCCCC1
InChIInChI=1S/C23H26N4O3S/c1-27(18-6-3-2-4-7-18)23(29)16-9-11-17(12-10-16)24-20(28)13-14-21-25-22(26-30-21)19-8-5-15-31-19/h5,8-12,15,18H,2-4,6-7,13-14H2,1H3,(H,24,28)
InChIKeyNLDGYKLZDPYMEP-UHFFFAOYSA-N
XLogP4.77
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide (CID 52713219) is N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is CN(C(=O)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
The InChIKey is NLDGYKLZDPYMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-27(18-6-3-2-4-7-18)23(29)16-9-11-17(12-10-16)24-20(28)13-14-21-25-22(26-30-21)19-8-5-15-31-19/h5,8-12,15,18H,2-4,6-7,13-14H2,1H3,(H,24,28).
What are the key properties of N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide?
N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 52713219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).