N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide

C16H16F3NOS — CID 174746651

IUPACN-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCCCCc1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NOS/c17-16(18,19)13-6-3-5-12(11-13)15(21)20-9-2-1-7-14-8-4-10-22-14/h3-6,8,10-11H,1-2,7,9H2,(H,20,21)
InChIKeyMUDOJYSQODIGEA-UHFFFAOYSA-N
MW327.37 g/mol
LogP4.52
Rot. Bonds6

About N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide

N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide (PubChem CID 174746651) has the molecular formula C16H16F3NOS and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide
PubChem CID174746651
Molecular FormulaC16H16F3NOS
Molecular Weight327.37 g/mol
Exact Mass327.09
IUPAC NameN-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCCCCc1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NOS/c17-16(18,19)13-6-3-5-12(11-13)15(21)20-9-2-1-7-14-8-4-10-22-14/h3-6,8,10-11H,1-2,7,9H2,(H,20,21)
InChIKeyMUDOJYSQODIGEA-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(trifluoromethyl)benzoate
CID 7603968
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 55438026
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide
CID 19584864
N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
CID 43596552
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide
CID 55454553
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106307969
3-[3-(3-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide
CID 175218271

Frequently Asked Questions

What is the IUPAC name of N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide (CID 174746651) is N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide is O=C(NCCCCc1cccs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide?
The InChIKey is MUDOJYSQODIGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NOS/c17-16(18,19)13-6-3-5-12(11-13)15(21)20-9-2-1-7-14-8-4-10-22-14/h3-6,8,10-11H,1-2,7,9H2,(H,20,21).
What are the key properties of N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide?
N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide has a molecular weight of 327.37 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 174746651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).