N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide

C18H23F3N2O2S — CID 1458499

IUPACN-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
SMILESCc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)C2CC2)s1
InChIInChI=1S/C18H23F3N2O2S/c1-11-7-10-14(26-11)15(16(24)22-12-5-3-2-4-6-12)23(13-8-9-13)17(25)18(19,20)21/h7,10,12-13,15H,2-6,8-9H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyDKNJJTLHTWTBIJ-OAHLLOKOSA-N
MW388.46 g/mol
LogP4.10
Rot. Bonds5

About N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide

N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide (PubChem CID 1458499) has the molecular formula C18H23F3N2O2S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
PubChem CID1458499
Molecular FormulaC18H23F3N2O2S
Molecular Weight388.46 g/mol
Exact Mass388.14
IUPAC NameN-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
SMILESCc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)C2CC2)s1
InChIInChI=1S/C18H23F3N2O2S/c1-11-7-10-14(26-11)15(16(24)22-12-5-3-2-4-6-12)23(13-8-9-13)17(25)18(19,20)21/h7,10,12-13,15H,2-6,8-9H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyDKNJJTLHTWTBIJ-OAHLLOKOSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(3-fluorophenyl)acetamide
CID 3216424
N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 3369379
N-[2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
CID 3216420
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
CID 1458302
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide
CID 3216369
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-ethylphenyl)-2,2,2-trifluoroacetamide
CID 1458435
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1083904
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 3216374
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61345197
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 1458693
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1083930

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide (CID 1458499) is N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide is Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)C2CC2)s1.
What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
The InChIKey is DKNJJTLHTWTBIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23F3N2O2S/c1-11-7-10-14(26-11)15(16(24)22-12-5-3-2-4-6-12)23(13-8-9-13)17(25)18(19,20)21/h7,10,12-13,15H,2-6,8-9H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide?
N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide has a molecular weight of 388.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclohexylamino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1458499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).