2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C20H14F3NO2S — CID 39948631

IUPAC2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C20H14F3NO2S/c21-20(22,23)14-6-3-5-13(11-14)12-24-19(26)16-8-2-1-7-15(16)18(25)17-9-4-10-27-17/h1-11H,12H2,(H,24,26)
InChIKeyUMUVWTWHZDNYBC-UHFFFAOYSA-N
MW389.40 g/mol
LogP4.93
Rot. Bonds5

About 2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 39948631) has the molecular formula C20H14F3NO2S and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID39948631
Molecular FormulaC20H14F3NO2S
Molecular Weight389.40 g/mol
Exact Mass389.07
IUPAC Name2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C20H14F3NO2S/c21-20(22,23)14-6-3-5-13(11-14)12-24-19(26)16-8-2-1-7-15(16)18(25)17-9-4-10-27-17/h1-11H,12H2,(H,24,26)
InChIKeyUMUVWTWHZDNYBC-UHFFFAOYSA-N
XLogP4.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
2-(thiophene-2-carbonyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 31825077
4-oxo-4-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 18168670
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
N-[1-oxo-3-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 154858162
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 55962347
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
N-[(2-chlorophenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 9401366
2-sulfanylidene-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 43046537
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide
CID 55972154

Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 39948631) is 2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of 2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is UMUVWTWHZDNYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO2S/c21-20(22,23)14-6-3-5-13(11-14)12-24-19(26)16-8-2-1-7-15(16)18(25)17-9-4-10-27-17/h1-11H,12H2,(H,24,26).
What are the key properties of 2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 389.40 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 39948631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).