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

C19H13F3N2O2S — CID 24671974

IUPACN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C19H13F3N2O2S/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/h1-11H,(H,23,25)(H,24,26)
InChIKeyMNZDBXKQLWJPSS-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.27
Rot. Bonds4

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

N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 24671974) has the molecular formula C19H13F3N2O2S and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID24671974
Molecular FormulaC19H13F3N2O2S
Molecular Weight390.39 g/mol
Exact Mass390.06
IUPAC NameN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C19H13F3N2O2S/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/h1-11H,(H,23,25)(H,24,26)
InChIKeyMNZDBXKQLWJPSS-UHFFFAOYSA-N
XLogP5.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 56538607
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305471
N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 7979324
N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55447323
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119752461
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 24671974) is N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)phenyl]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)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is MNZDBXKQLWJPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2S/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/h1-11H,(H,23,25)(H,24,26).
What are the key properties of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 5.27, 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)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24671974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).