4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide

C18H12F3NOS — CID 3811928

IUPAC4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C18H12F3NOS/c19-18(20,21)14-3-1-4-15(11-14)22-17(23)13-8-6-12(7-9-13)16-5-2-10-24-16/h1-11H,(H,22,23)
InChIKeyZFUACVAMKDNHLK-UHFFFAOYSA-N
MW347.36 g/mol
LogP5.69
Rot. Bonds3

About 4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide

4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 3811928) has the molecular formula C18H12F3NOS and a molecular weight of 347.36 g/mol. Its IUPAC name is 4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID3811928
Molecular FormulaC18H12F3NOS
Molecular Weight347.36 g/mol
Exact Mass347.06
IUPAC Name4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C18H12F3NOS/c19-18(20,21)14-3-1-4-15(11-14)22-17(23)13-8-6-12(7-9-13)16-5-2-10-24-16/h1-11H,(H,22,23)
InChIKeyZFUACVAMKDNHLK-UHFFFAOYSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.36
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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HDAC inhibitor, Compound 1
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N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
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N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-phenyl-3-thiophenecarboxamide
CID 902479
4-thiophen-3-yl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzamide
CID 155567775
4-[(Thiophen-2-ylacetyl)amino]benzamide
CID 670145
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 939900

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 3811928) is 4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccs2)cc1.
What is the InChIKey of 4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZFUACVAMKDNHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NOS/c19-18(20,21)14-3-1-4-15(11-14)22-17(23)13-8-6-12(7-9-13)16-5-2-10-24-16/h1-11H,(H,22,23).
What are the key properties of 4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 347.36 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3811928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).