N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C21H27F3N2OS — CID 46082931

IUPACN-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C21H27F3N2OS/c1-4-26(5-2)13-7-8-15(3)25-20(27)19-12-11-18(28-19)16-9-6-10-17(14-16)21(22,23)24/h6,9-12,14-15H,4-5,7-8,13H2,1-3H3,(H,25,27)
InChIKeyPBWOIWUPCQYCDY-UHFFFAOYSA-N
MW412.52 g/mol
LogP5.67
Rot. Bonds9

About N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 46082931) has the molecular formula C21H27F3N2OS and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID46082931
Molecular FormulaC21H27F3N2OS
Molecular Weight412.52 g/mol
Exact Mass412.18
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C21H27F3N2OS/c1-4-26(5-2)13-7-8-15(3)25-20(27)19-12-11-18(28-19)16-9-6-10-17(14-16)21(22,23)24/h6,9-12,14-15H,4-5,7-8,13H2,1-3H3,(H,25,27)
InChIKeyPBWOIWUPCQYCDY-UHFFFAOYSA-N
XLogP5.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 92760464
N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 4535202
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 67237992
N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46083086
N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082752
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]guanidine
CID 111754931
N-(5-bromopentan-2-yl)-3-(trifluoromethyl)benzamide
CID 114316538
N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107020632
6-amino-N-[5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 62153221
phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
CID 135016793
N-[(2R)-heptan-2-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9491097
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 46082931) is N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is CCN(CC)CCCC(C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is PBWOIWUPCQYCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2OS/c1-4-26(5-2)13-7-8-15(3)25-20(27)19-12-11-18(28-19)16-9-6-10-17(14-16)21(22,23)24/h6,9-12,14-15H,4-5,7-8,13H2,1-3H3,(H,25,27).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46082931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).