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

C23H27F3N2O3S — CID 3216420

IUPACN-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1N(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccc(C)s1
InChIInChI=1S/C23H27F3N2O3S/c1-14-9-11-18(31-3)17(13-14)28(22(30)23(24,25)26)20(19-12-10-15(2)32-19)21(29)27-16-7-5-4-6-8-16/h9-13,16,20H,4-8H2,1-3H3,(H,27,29)
InChIKeyMJFVFCJASRYBFH-UHFFFAOYSA-N
MW468.54 g/mol
LogP5.46
Rot. Bonds6

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

N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 3216420) has the molecular formula C23H27F3N2O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID3216420
Molecular FormulaC23H27F3N2O3S
Molecular Weight468.54 g/mol
Exact Mass468.17
IUPAC NameN-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1N(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccc(C)s1
InChIInChI=1S/C23H27F3N2O3S/c1-14-9-11-18(31-3)17(13-14)28(22(30)23(24,25)26)20(19-12-10-15(2)32-19)21(29)27-16-7-5-4-6-8-16/h9-13,16,20H,4-8H2,1-3H3,(H,27,29)
InChIKeyMJFVFCJASRYBFH-UHFFFAOYSA-N
XLogP5.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
CID 1458408
N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
CID 1458499
N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(3-fluorophenyl)acetamide
CID 3216424
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1083939
N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 3369379
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide
CID 3216369
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 3216374
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
CID 3215267
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1083920
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-N-(2-methoxy-5-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 25308126
4-amino-5-N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-N-(2-methoxy-5-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3185592
N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide
CID 3202707

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-methoxy-5-methylphenyl)acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide (CID 3216420) is N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1N(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-methoxy-5-methylphenyl)acetamide?
The InChIKey is MJFVFCJASRYBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3S/c1-14-9-11-18(31-3)17(13-14)28(22(30)23(24,25)26)20(19-12-10-15(2)32-19)21(29)27-16-7-5-4-6-8-16/h9-13,16,20H,4-8H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide?
N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 468.54 g/mol, XLogP of 5.46, 6 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-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 3216420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).