N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide

C18H19F3N2O2S — CID 124878574

IUPACN-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2S/c19-18(20,21)14-5-3-13(4-6-14)17(24)22-12-15(16-2-1-9-25-16)23-7-10-26-11-8-23/h1-6,9,15H,7-8,10-12H2,(H,22,24)/t15-/m1/s1
InChIKeyZOAYPHTYGVLSEN-OAHLLOKOSA-N
MW384.42 g/mol
LogP3.82
Rot. Bonds5

About N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide

N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide (PubChem CID 124878574) has the molecular formula C18H19F3N2O2S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
PubChem CID124878574
Molecular FormulaC18H19F3N2O2S
Molecular Weight384.42 g/mol
Exact Mass384.11
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2S/c19-18(20,21)14-5-3-13(4-6-14)17(24)22-12-15(16-2-1-9-25-16)23-7-10-26-11-8-23/h1-6,9,15H,7-8,10-12H2,(H,22,24)/t15-/m1/s1
InChIKeyZOAYPHTYGVLSEN-OAHLLOKOSA-N
XLogP3.82
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
CID 124727899
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 124873929
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide
CID 124759832
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124877563
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide
CID 124727618
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 4807708
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 41079127
4-tert-butyl-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 55347489

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide (CID 124878574) is N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide is O=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZOAYPHTYGVLSEN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19F3N2O2S/c19-18(20,21)14-5-3-13(4-6-14)17(24)22-12-15(16-2-1-9-25-16)23-7-10-26-11-8-23/h1-6,9,15H,7-8,10-12H2,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide?
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 384.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 124878574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).