N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

C18H25F3N2O3S — CID 3216446

IUPACN-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccc(C)s1
InChIInChI=1S/C18H25F3N2O3S/c1-12-8-9-14(27-12)15(16(24)22-13-6-4-3-5-7-13)23(10-11-26-2)17(25)18(19,20)21/h8-9,13,15H,3-7,10-11H2,1-2H3,(H,22,24)
InChIKeyJYFFVFBQTFQGRM-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (PubChem CID 3216446) has the molecular formula C18H25F3N2O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
PubChem CID3216446
Molecular FormulaC18H25F3N2O3S
Molecular Weight406.47 g/mol
Exact Mass406.15
IUPAC NameN-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccc(C)s1
InChIInChI=1S/C18H25F3N2O3S/c1-12-8-9-14(27-12)15(16(24)22-13-6-4-3-5-7-13)23(10-11-26-2)17(25)18(19,20)21/h8-9,13,15H,3-7,10-11H2,1-2H3,(H,22,24)
InChIKeyJYFFVFBQTFQGRM-UHFFFAOYSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (CID 3216446) is N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is COCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccc(C)s1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The InChIKey is JYFFVFBQTFQGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3S/c1-12-8-9-14(27-12)15(16(24)22-13-6-4-3-5-7-13)23(10-11-26-2)17(25)18(19,20)21/h8-9,13,15H,3-7,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide has a molecular weight of 406.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3216446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).