3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide

C28H21F6NOS — CID 59459100

IUPAC3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H21F6NOS/c1-18-13-14-37-24(18)25(36)35-26(17-19-7-3-2-4-8-19,20-9-5-11-22(15-20)27(29,30)31)21-10-6-12-23(16-21)28(32,33)34/h2-16H,17H2,1H3,(H,35,36)
InChIKeyMZIGOMZQIKPYPL-UHFFFAOYSA-N
MW533.54 g/mol
LogP8.01
Rot. Bonds6

About 3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide

3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide (PubChem CID 59459100) has the molecular formula C28H21F6NOS and a molecular weight of 533.54 g/mol. Its IUPAC name is 3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
PubChem CID59459100
Molecular FormulaC28H21F6NOS
Molecular Weight533.54 g/mol
Exact Mass533.12
IUPAC Name3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H21F6NOS/c1-18-13-14-37-24(18)25(36)35-26(17-19-7-3-2-4-8-19,20-9-5-11-22(15-20)27(29,30)31)21-10-6-12-23(16-21)28(32,33)34/h2-16H,17H2,1H3,(H,35,36)
InChIKeyMZIGOMZQIKPYPL-UHFFFAOYSA-N
XLogP8.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.54
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 59458588
2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 59459518
4-methyl-3-nitro-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 59458519
2,3-difluoro-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 59459335
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 59459002
2-nitro-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 58897891
4-nitro-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 87152451
N-[1-[3-[difluoro(iodo)methyl]phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3,3-dimethylbutanamide
CID 162553639
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 3-methylthiophene-2-carboxylate
CID 50929627
[2-fluoro-5-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]-propan-2-ylcarbamic acid
CID 87152367
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 48524891

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide (CID 59459100) is 3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide?
The InChIKey is MZIGOMZQIKPYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F6NOS/c1-18-13-14-37-24(18)25(36)35-26(17-19-7-3-2-4-8-19,20-9-5-11-22(15-20)27(29,30)31)21-10-6-12-23(16-21)28(32,33)34/h2-16H,17H2,1H3,(H,35,36).
What are the key properties of 3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide?
3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide has a molecular weight of 533.54 g/mol, XLogP of 8.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 59459100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).