N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C18H19F3N2O2S — CID 10091411

IUPACN-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C18H19F3N2O2S/c19-18(20,21)15-3-1-13(2-4-15)14-11-16(26-12-14)17(24)22-5-6-23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,22,24)
InChIKeyCTPYXCDTSQHRPZ-UHFFFAOYSA-N
MW384.42 g/mol
LogP3.50
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 10091411) has the molecular formula C18H19F3N2O2S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID10091411
Molecular FormulaC18H19F3N2O2S
Molecular Weight384.42 g/mol
Exact Mass384.11
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C18H19F3N2O2S/c19-18(20,21)15-3-1-13(2-4-15)14-11-16(26-12-14)17(24)22-5-6-23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,22,24)
InChIKeyCTPYXCDTSQHRPZ-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690078
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N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)-1H-indole-2-carboxamide
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N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
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CID 134799622
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
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N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
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CID 155539093
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1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea
CID 46800433
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 10091411) is N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(NCCN1CCOCC1)c1cc(-c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is CTPYXCDTSQHRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2S/c19-18(20,21)15-3-1-13(2-4-15)14-11-16(26-12-14)17(24)22-5-6-23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,22,24).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 10091411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).