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

C19H13F3N2O3S — CID 55447323

IUPACN-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H13F3N2O3S/c20-19(21,22)27-15-8-2-1-7-14(15)24-17(25)12-5-3-6-13(11-12)23-18(26)16-9-4-10-28-16/h1-11H,(H,23,26)(H,24,25)
InChIKeyDYDLPKGAUHXPGL-UHFFFAOYSA-N
MW406.39 g/mol
LogP5.15
Rot. Bonds5

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

N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55447323) has the molecular formula C19H13F3N2O3S and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55447323
Molecular FormulaC19H13F3N2O3S
Molecular Weight406.39 g/mol
Exact Mass406.06
IUPAC NameN-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H13F3N2O3S/c20-19(21,22)27-15-8-2-1-7-14(15)24-17(25)12-5-3-6-13(11-12)23-18(26)16-9-4-10-28-16/h1-11H,(H,23,26)(H,24,25)
InChIKeyDYDLPKGAUHXPGL-UHFFFAOYSA-N
XLogP5.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.39
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 2741510
N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 166217861
N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27990641
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
N-[3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55765466
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 55447323) is N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is DYDLPKGAUHXPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3S/c20-19(21,22)27-15-8-2-1-7-14(15)24-17(25)12-5-3-6-13(11-12)23-18(26)16-9-4-10-28-16/h1-11H,(H,23,26)(H,24,25).
What are the key properties of N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55447323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).