N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C20H23F3N2O2S — CID 42701086

IUPACN-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCCN1CCOCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O2S/c21-20(22,23)17-6-4-16(5-7-17)15-25(19(26)18-3-1-14-28-18)9-2-8-24-10-12-27-13-11-24/h1,3-7,14H,2,8-13,15H2
InChIKeyMYTVXTBIPYEOPP-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.13
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 42701086) has the molecular formula C20H23F3N2O2S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID42701086
Molecular FormulaC20H23F3N2O2S
Molecular Weight412.48 g/mol
Exact Mass412.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCCN1CCOCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O2S/c21-20(22,23)17-6-4-16(5-7-17)15-25(19(26)18-3-1-14-28-18)9-2-8-24-10-12-27-13-11-24/h1,3-7,14H,2,8-13,15H2
InChIKeyMYTVXTBIPYEOPP-UHFFFAOYSA-N
XLogP4.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 3401925
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390
1-(3-morpholin-4-ylpropyl)-3-(4-nitrophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 42701145
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 42772936
3-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42701252
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 56564212
N-[(4-fluorophenyl)methyl]-4-methyl-N-(3-morpholin-4-ylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225335
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 23094990
1-[(4-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 4245013
N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 146065216
N-[(4-fluorophenyl)methyl]-2-[2-morpholin-4-ylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1031865
5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 56536352

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 42701086) is N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is O=C(c1cccs1)N(CCCN1CCOCC1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is MYTVXTBIPYEOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2S/c21-20(22,23)17-6-4-16(5-7-17)15-25(19(26)18-3-1-14-28-18)9-2-8-24-10-12-27-13-11-24/h1,3-7,14H,2,8-13,15H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 42701086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).