N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

C17H23F3N2O3S — CID 3153651

IUPACN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C17H23F3N2O3S/c1-25-10-9-22(16(24)17(18,19)20)14(13-8-5-11-26-13)15(23)21-12-6-3-2-4-7-12/h5,8,11-12,14H,2-4,6-7,9-10H2,1H3,(H,21,23)
InChIKeyLDPGKYREISBABI-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.28
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (PubChem CID 3153651) has the molecular formula C17H23F3N2O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
PubChem CID3153651
Molecular FormulaC17H23F3N2O3S
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C17H23F3N2O3S/c1-25-10-9-22(16(24)17(18,19)20)14(13-8-5-11-26-13)15(23)21-12-6-3-2-4-7-12/h5,8,11-12,14H,2-4,6-7,9-10H2,1H3,(H,21,23)
InChIKeyLDPGKYREISBABI-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (CID 3153651) is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is COCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1cccs1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The InChIKey is LDPGKYREISBABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3S/c1-25-10-9-22(16(24)17(18,19)20)14(13-8-5-11-26-13)15(23)21-12-6-3-2-4-7-12/h5,8,11-12,14H,2-4,6-7,9-10H2,1H3,(H,21,23).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide has a molecular weight of 392.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3153651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).