N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide

C17H23F3N2O2S — CID 58062966

IUPACN-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@H]1CCC[C@@H]1N(C)C
InChIInChI=1S/C17H23F3N2O2S/c1-22(2)12-7-5-6-11(12)21-16(23)15-13(24-3)8-10(17(18,19)20)9-14(15)25-4/h8-9,11-12H,5-7H2,1-4H3,(H,21,23)/t11-,12+/m1/s1
InChIKeySSJGFOOKGLNIFZ-NEPJUHHUSA-N
MW376.44 g/mol
LogP3.65
Rot. Bonds5

About N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide

N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide (PubChem CID 58062966) has the molecular formula C17H23F3N2O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
PubChem CID58062966
Molecular FormulaC17H23F3N2O2S
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC NameN-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@H]1CCC[C@@H]1N(C)C
InChIInChI=1S/C17H23F3N2O2S/c1-22(2)12-7-5-6-11(12)21-16(23)15-13(24-3)8-10(17(18,19)20)9-14(15)25-4/h8-9,11-12H,5-7H2,1-4H3,(H,21,23)/t11-,12+/m1/s1
InChIKeySSJGFOOKGLNIFZ-NEPJUHHUSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopentylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 162115292
2-methoxy-6-methylsulfanyl-N-[2-(oxan-4-ylamino)cyclopentyl]-4-(trifluoromethyl)benzamide
CID 66681522
N-[4-(cyclobutylamino)cyclohexyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 150286180
2-[(1S,2S)-2-(cyclopentylamino)cyclopentyl]-1-[2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)phenyl]ethanone;2-[(1R,2R)-2-(cyclopentylamino)cyclopentyl]-1-[2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)phenyl]ethanone
CID 162072307
2-methoxy-6-methylsulfanyl-N-[(4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 90290964
2-methoxy-6-methylsulfanyl-N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 53339569
N-[[1-(dimethylamino)cyclobutyl]-phenylmethyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 46179331
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
N-[(1S,2S)-2-cyclohexylcyclopentyl]-2-methylsulfanyl-4,6-bis(trifluoromethyl)benzamide
CID 162588547
2-cyclopropyl-6-methoxy-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide
CID 51001234
2-methylsulfanyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide
CID 51000590
2-methoxy-6-methylsulfanyl-N-[(1R)-1-phenyl-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]-4-(trifluoromethyl)benzamide
CID 54767266

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide (CID 58062966) is N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@H]1CCC[C@@H]1N(C)C.
What is the InChIKey of N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
The InChIKey is SSJGFOOKGLNIFZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H23F3N2O2S/c1-22(2)12-7-5-6-11(12)21-16(23)15-13(24-3)8-10(17(18,19)20)9-14(15)25-4/h8-9,11-12H,5-7H2,1-4H3,(H,21,23)/t11-,12+/m1/s1.
What are the key properties of N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide has a molecular weight of 376.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(dimethylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 58062966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).