N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide

C23H20Cl2F3NOS — CID 90134358

IUPACN-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide
SMILESCc1cc(C2=CSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NC1CCC1
InChIInChI=1S/C23H20Cl2F3NOS/c1-13-7-14(5-6-20(13)21(30)29-19-3-2-4-19)15-11-22(31-12-15,23(26,27)28)16-8-17(24)10-18(25)9-16/h5-10,12,19H,2-4,11H2,1H3,(H,29,30)
InChIKeyOEUZFBBTJQNKQM-UHFFFAOYSA-N
MW486.39 g/mol
LogP7.52
Rot. Bonds4

About N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide

N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide (PubChem CID 90134358) has the molecular formula C23H20Cl2F3NOS and a molecular weight of 486.39 g/mol. Its IUPAC name is N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide
PubChem CID90134358
Molecular FormulaC23H20Cl2F3NOS
Molecular Weight486.39 g/mol
Exact Mass485.06
IUPAC NameN-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide
SMILESCc1cc(C2=CSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NC1CCC1
InChIInChI=1S/C23H20Cl2F3NOS/c1-13-7-14(5-6-20(13)21(30)29-19-3-2-4-19)15-11-22(31-12-15,23(26,27)28)16-8-17(24)10-18(25)9-16/h5-10,12,19H,2-4,11H2,1H3,(H,29,30)
InChIKeyOEUZFBBTJQNKQM-UHFFFAOYSA-N
XLogP7.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.39
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide?
The IUPAC name of N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide (CID 90134358) is N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide is Cc1cc(C2=CSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide?
The InChIKey is OEUZFBBTJQNKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2F3NOS/c1-13-7-14(5-6-20(13)21(30)29-19-3-2-4-19)15-11-22(31-12-15,23(26,27)28)16-8-17(24)10-18(25)9-16/h5-10,12,19H,2-4,11H2,1H3,(H,29,30).
What are the key properties of N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide?
N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide has a molecular weight of 486.39 g/mol, XLogP of 7.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide is sourced from PubChem (CID 90134358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).