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

C21H23ClN4O2S — CID 55917418

IUPAC2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESCN(C(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1Cl)C1CCCCC1
InChIInChI=1S/C21H23ClN4O2S/c1-26(16-5-3-2-4-6-16)21(27)17-8-7-15(11-18(17)22)23-12-19-24-20(25-28-19)14-9-10-29-13-14/h7-11,13,16,23H,2-6,12H2,1H3
InChIKeySKEYHWZNUBISKB-UHFFFAOYSA-N
MW430.96 g/mol
LogP5.47
Rot. Bonds6

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

2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (PubChem CID 55917418) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
PubChem CID55917418
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC Name2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESCN(C(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1Cl)C1CCCCC1
InChIInChI=1S/C21H23ClN4O2S/c1-26(16-5-3-2-4-6-16)21(27)17-8-7-15(11-18(17)22)23-12-19-24-20(25-28-19)14-9-10-29-13-14/h7-11,13,16,23H,2-6,12H2,1H3
InChIKeySKEYHWZNUBISKB-UHFFFAOYSA-N
XLogP5.47
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-chloro-4-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (CID 55917418) is 2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is CN(C(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1Cl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The InChIKey is SKEYHWZNUBISKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c1-26(16-5-3-2-4-6-16)21(27)17-8-7-15(11-18(17)22)23-12-19-24-20(25-28-19)14-9-10-29-13-14/h7-11,13,16,23H,2-6,12H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide has a molecular weight of 430.96 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 55917418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).