N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide

C19H19F3N2OS — CID 155814346

IUPACN-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CN(Cc2ccc(C(F)(F)F)cc2)CCS1
InChIInChI=1S/C19H19F3N2OS/c20-19(21,22)15-8-6-14(7-9-15)12-24-10-11-26-17(13-24)18(25)23-16-4-2-1-3-5-16/h1-9,17H,10-13H2,(H,23,25)
InChIKeyYVGYEFBQRIAEAZ-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.26
Rot. Bonds4

About N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide

N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide (PubChem CID 155814346) has the molecular formula C19H19F3N2OS and a molecular weight of 380.44 g/mol. Its IUPAC name is N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide
PubChem CID155814346
Molecular FormulaC19H19F3N2OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CN(Cc2ccc(C(F)(F)F)cc2)CCS1
InChIInChI=1S/C19H19F3N2OS/c20-19(21,22)15-8-6-14(7-9-15)12-24-10-11-26-17(13-24)18(25)23-16-4-2-1-3-5-16/h1-9,17H,10-13H2,(H,23,25)
InChIKeyYVGYEFBQRIAEAZ-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(phenylcarbamoyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]acetamide
CID 24618129
1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 2809988
N,N-dimethyl-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]carbamoylamino]benzamide
CID 86952237
N-phenyl-11-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,11-tetrazatricyclo[7.3.0.02,6]dodeca-2,4-diene-5-carboxamide
CID 131673246
1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 126711712
(3aR,6aS)-2-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 52934029
thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone
CID 146078359
(6S)-N,1-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 124976732
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
(2S)-1-benzyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 39855223
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide?
The IUPAC name of N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide (CID 155814346) is N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide.
What is the SMILES notation for N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide?
The canonical SMILES for N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide is O=C(Nc1ccccc1)C1CN(Cc2ccc(C(F)(F)F)cc2)CCS1.
What is the InChIKey of N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide?
The InChIKey is YVGYEFBQRIAEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2OS/c20-19(21,22)15-8-6-14(7-9-15)12-24-10-11-26-17(13-24)18(25)23-16-4-2-1-3-5-16/h1-9,17H,10-13H2,(H,23,25).
What are the key properties of N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide?
N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiomorpholine-2-carboxamide is sourced from PubChem (CID 155814346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).