N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide

C19H19F3N2O2S — CID 24658665

IUPACN-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCCC(C(F)(F)F)C1)c1cccs1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)12-5-3-6-13(11-12)23-17(25)14-7-1-2-8-15(14)24-18(26)16-9-4-10-27-16/h1-2,4,7-10,12-13H,3,5-6,11H2,(H,23,25)(H,24,26)
InChIKeyZFDARWGDVMDZKG-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.85
Rot. Bonds4

About N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 24658665) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID24658665
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC NameN-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCCC(C(F)(F)F)C1)c1cccs1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)12-5-3-6-13(11-12)23-17(25)14-7-1-2-8-15(14)24-18(26)16-9-4-10-27-16/h1-2,4,7-10,12-13H,3,5-6,11H2,(H,23,25)(H,24,26)
InChIKeyZFDARWGDVMDZKG-UHFFFAOYSA-N
XLogP4.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide
CID 124572800
1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534093
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 55548577
2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
CID 25475206
2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 31061522
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
N-[2-(oxan-2-yloxycarbamoyl)phenyl]thiophene-2-carboxamide
CID 60613224
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
N-[2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55933929
4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 107794023
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 24658665) is N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)NC1CCCC(C(F)(F)F)C1)c1cccs1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is ZFDARWGDVMDZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c20-19(21,22)12-5-3-6-13(11-12)23-17(25)14-7-1-2-8-15(14)24-18(26)16-9-4-10-27-16/h1-2,4,7-10,12-13H,3,5-6,11H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24658665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).