N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide

C18H12F3NO2S2 — CID 71803363

IUPACN-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F3NO2S2/c19-18(20,21)12-4-1-3-11(9-12)17(24)22-10-13-6-7-15(26-13)16(23)14-5-2-8-25-14/h1-9H,10H2,(H,22,24)
InChIKeyZXPGGHHZEDQFJM-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.99
Rot. Bonds5

About N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide

N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 71803363) has the molecular formula C18H12F3NO2S2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID71803363
Molecular FormulaC18H12F3NO2S2
Molecular Weight395.43 g/mol
Exact Mass395.03
IUPAC NameN-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F3NO2S2/c19-18(20,21)12-4-1-3-11(9-12)17(24)22-10-13-6-7-15(26-13)16(23)14-5-2-8-25-14/h1-9H,10H2,(H,22,24)
InChIKeyZXPGGHHZEDQFJM-UHFFFAOYSA-N
XLogP4.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3c
CID 25023797
Thiophene derivative, 3e
CID 25023798
N-benzyl-N-methyl-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023816
Acetamide, N-(3-trifluoromethylbenzyl)-2-(2-thienyl)-
CID 566340
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023817
N-(1-benzothiophen-7-ylmethyl)-2-thiophenecarboxamide
CID 25105719
N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzenecarboxamide
CID 3294573
N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247020

Frequently Asked Questions

What is the IUPAC name of N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide (CID 71803363) is N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide is O=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZXPGGHHZEDQFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2S2/c19-18(20,21)12-4-1-3-11(9-12)17(24)22-10-13-6-7-15(26-13)16(23)14-5-2-8-25-14/h1-9H,10H2,(H,22,24).
What are the key properties of N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide?
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 395.43 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71803363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).