N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide

C20H22N2O2S — CID 11840716

IUPACN-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NC1CCCCC1)C1c2ccccc2C(=O)N1Cc1cccs1
InChIInChI=1S/C20H22N2O2S/c23-19(21-14-7-2-1-3-8-14)18-16-10-4-5-11-17(16)20(24)22(18)13-15-9-6-12-25-15/h4-6,9-12,14,18H,1-3,7-8,13H2,(H,21,23)
InChIKeyXZEMYBFLICCTDI-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.89
Rot. Bonds4

About N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide

N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide (PubChem CID 11840716) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide
PubChem CID11840716
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC NameN-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NC1CCCCC1)C1c2ccccc2C(=O)N1Cc1cccs1
InChIInChI=1S/C20H22N2O2S/c23-19(21-14-7-2-1-3-8-14)18-16-10-4-5-11-17(16)20(24)22(18)13-15-9-6-12-25-15/h4-6,9-12,14,18H,1-3,7-8,13H2,(H,21,23)
InChIKeyXZEMYBFLICCTDI-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide (CID 11840716) is N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide is O=C(NC1CCCCC1)C1c2ccccc2C(=O)N1Cc1cccs1.
What is the InChIKey of N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide?
The InChIKey is XZEMYBFLICCTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-19(21-14-7-2-1-3-8-14)18-16-10-4-5-11-17(16)20(24)22(18)13-15-9-6-12-25-15/h4-6,9-12,14,18H,1-3,7-8,13H2,(H,21,23).
What are the key properties of N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide?
N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 11840716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).