5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide

C22H20F3NO2S — CID 141148306

IUPAC5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide
SMILESCCC(Oc1ccc(-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccc(C(N)=O)s1
InChIInChI=1S/C22H20F3NO2S/c1-3-18(19-10-11-20(29-19)21(26)27)28-16-8-9-17(13(2)12-16)14-4-6-15(7-5-14)22(23,24)25/h4-12,18H,3H2,1-2H3,(H2,26,27)
InChIKeyCASWZEIGLCJWQP-UHFFFAOYSA-N
MW419.47 g/mol
LogP6.37
Rot. Bonds6

About 5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide

5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide (PubChem CID 141148306) has the molecular formula C22H20F3NO2S and a molecular weight of 419.47 g/mol. Its IUPAC name is 5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide
PubChem CID141148306
Molecular FormulaC22H20F3NO2S
Molecular Weight419.47 g/mol
Exact Mass419.12
IUPAC Name5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide
SMILESCCC(Oc1ccc(-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccc(C(N)=O)s1
InChIInChI=1S/C22H20F3NO2S/c1-3-18(19-10-11-20(29-19)21(26)27)28-16-8-9-17(13(2)12-16)14-4-6-15(7-5-14)22(23,24)25/h4-12,18H,3H2,1-2H3,(H2,26,27)
InChIKeyCASWZEIGLCJWQP-UHFFFAOYSA-N
XLogP6.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.47
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isofetamid
CID 71657865
5-Cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide
CID 2740193
[4-(4-Trifluoromethoxy-phenyl)-thiophene-2-carbonyl]-carbamic acid 4-methyl-cyclohexyl ester
CID 44389199
[4-(4-Trifluoromethoxy-phenyl)-thiophene-2-carbonyl]-carbamic acid 4-methyl-benzyl ester
CID 44389227
2-(2-Phenoxyethoxy)-5-thiophen-3-ylbenzamide
CID 70693495
(E)-3-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenyl]-2-phenyl-acrylamide
CID 10570511
4-[5-Methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]benzamide
CID 44142492
2,6-Difluoro-3-[(4-methylthiophen-2-yl)methoxy]benzamide
CID 46237009
3-[5-[[3-(2-Carbamoylphenyl)phenyl]methoxy]thiophen-2-yl]propanoic acid
CID 137657289
4,5-bis(4-methoxyphenyl)-N-(4-(trifluoromethyl)benzyl)thiophene-2-carboxamide
CID 129845395
3-[2-Cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide
CID 49824147
5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
CID 46083105

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide (CID 141148306) is 5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide is CCC(Oc1ccc(-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccc(C(N)=O)s1.
What is the InChIKey of 5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide?
The InChIKey is CASWZEIGLCJWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO2S/c1-3-18(19-10-11-20(29-19)21(26)27)28-16-8-9-17(13(2)12-16)14-4-6-15(7-5-14)22(23,24)25/h4-12,18H,3H2,1-2H3,(H2,26,27).
What are the key properties of 5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide?
5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide has a molecular weight of 419.47 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 141148306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).