N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide

C23H27F3N2O4S — CID 1083847

IUPACN-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)C(F)(F)F)c1
InChIInChI=1S/C23H27F3N2O4S/c1-31-16-10-11-19(32-2)18(13-16)20(21(29)27-15-7-4-3-5-8-15)28(22(30)23(24,25)26)14-17-9-6-12-33-17/h6,9-13,15,20H,3-5,7-8,14H2,1-2H3,(H,27,29)/t20-/m1/s1
InChIKeyMZCRDKLMGMGWSI-HXUWFJFHSA-N
MW484.54 g/mol
LogP4.85
Rot. Bonds8

About N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide

N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1083847) has the molecular formula C23H27F3N2O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1083847
Molecular FormulaC23H27F3N2O4S
Molecular Weight484.54 g/mol
Exact Mass484.16
IUPAC NameN-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)C(F)(F)F)c1
InChIInChI=1S/C23H27F3N2O4S/c1-31-16-10-11-19(32-2)18(13-16)20(21(29)27-15-7-4-3-5-8-15)28(22(30)23(24,25)26)14-17-9-6-12-33-17/h6,9-13,15,20H,3-5,7-8,14H2,1-2H3,(H,27,29)/t20-/m1/s1
InChIKeyMZCRDKLMGMGWSI-HXUWFJFHSA-N
XLogP4.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1083930
N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202615
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1458307
N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 3369379
(2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 98097835
2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(2,4-dimethoxyphenyl)acetamide
CID 3197921
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(2,4-dimethoxyphenyl)acetamide
CID 98102489
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1083939
N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3191075
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 98102920
2-[(2-chloroacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 86809936
(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide
CID 25310056

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide (CID 1083847) is N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)C(F)(F)F)c1.
What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MZCRDKLMGMGWSI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27F3N2O4S/c1-31-16-10-11-19(32-2)18(13-16)20(21(29)27-15-7-4-3-5-8-15)28(22(30)23(24,25)26)14-17-9-6-12-33-17/h6,9-13,15,20H,3-5,7-8,14H2,1-2H3,(H,27,29)/t20-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?
N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 484.54 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1083847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).