N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C20H27F3N2O2S — CID 39175762

IUPACN-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NCC1(N2CCSCC2)CCCC1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H27F3N2O2S/c21-20(22,23)15-27-13-16-3-5-17(6-4-16)18(26)24-14-19(7-1-2-8-19)25-9-11-28-12-10-25/h3-6H,1-2,7-15H2,(H,24,26)
InChIKeyWKLVVADGTSQDOM-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.86
Rot. Bonds7

About N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 39175762) has the molecular formula C20H27F3N2O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID39175762
Molecular FormulaC20H27F3N2O2S
Molecular Weight416.51 g/mol
Exact Mass416.17
IUPAC NameN-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NCC1(N2CCSCC2)CCCC1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H27F3N2O2S/c21-20(22,23)15-27-13-16-3-5-17(6-4-16)18(26)24-14-19(7-1-2-8-19)25-9-11-28-12-10-25/h3-6H,1-2,7-15H2,(H,24,26)
InChIKeyWKLVVADGTSQDOM-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 39429392
4-(2-methylsulfanylimidazol-1-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 55777798
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256
4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 56892729
4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36554858
2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 39177580
N-[[1-(4-propylsulfonylpiperazin-1-yl)cycloheptyl]methyl]-4-(trifluoromethyl)benzamide
CID 54764427
4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 86975297
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 34949414
4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467
4-bromo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 36557381
N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 94561634

Frequently Asked Questions

What is the IUPAC name of N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 39175762) is N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(NCC1(N2CCSCC2)CCCC1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is WKLVVADGTSQDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2S/c21-20(22,23)15-27-13-16-3-5-17(6-4-16)18(26)24-14-19(7-1-2-8-19)25-9-11-28-12-10-25/h3-6H,1-2,7-15H2,(H,24,26).
What are the key properties of N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 416.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 39175762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).