N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide

C18H28N2O2S — CID 5310438

IUPACN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H28N2O2S/c1-14(19-18(21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)20-9-11-22-12-10-20/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3,(H,19,21)
InChIKeyODQFJWCLFJSXEX-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.21
Rot. Bonds5

About N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide

N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide (PubChem CID 5310438) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide
PubChem CID5310438
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C18H28N2O2S/c1-14(19-18(21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)20-9-11-22-12-10-20/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3,(H,19,21)
InChIKeyODQFJWCLFJSXEX-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide (CID 5310438) is N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)C(c1cccs1)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide?
The InChIKey is ODQFJWCLFJSXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-14(19-18(21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)20-9-11-22-12-10-20/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3,(H,19,21).
What are the key properties of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide?
N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide has a molecular weight of 336.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 5310438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).