N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide

C21H18F3NOS — CID 46572832

IUPACN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
SMILESCCc1ccc(C(NC(=O)c2ccccc2C(F)(F)F)c2cccs2)cc1
InChIInChI=1S/C21H18F3NOS/c1-2-14-9-11-15(12-10-14)19(18-8-5-13-27-18)25-20(26)16-6-3-4-7-17(16)21(22,23)24/h3-13,19H,2H2,1H3,(H,25,26)
InChIKeyFDFBEDZWQXJEBS-UHFFFAOYSA-N
MW389.44 g/mol
LogP5.85
Rot. Bonds5

About N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide

N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide (PubChem CID 46572832) has the molecular formula C21H18F3NOS and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
PubChem CID46572832
Molecular FormulaC21H18F3NOS
Molecular Weight389.44 g/mol
Exact Mass389.11
IUPAC NameN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
SMILESCCc1ccc(C(NC(=O)c2ccccc2C(F)(F)F)c2cccs2)cc1
InChIInChI=1S/C21H18F3NOS/c1-2-14-9-11-15(12-10-14)19(18-8-5-13-27-18)25-20(26)16-6-3-4-7-17(16)21(22,23)24/h3-13,19H,2H2,1H3,(H,25,26)
InChIKeyFDFBEDZWQXJEBS-UHFFFAOYSA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 17475338
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46580043
(3R)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanamide
CID 26006921
2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 62733554
2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8769647
(3S)-3-(carbamoylamino)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 41306258
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide
CID 7669993
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55499002

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide (CID 46572832) is N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide is CCc1ccc(C(NC(=O)c2ccccc2C(F)(F)F)c2cccs2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is FDFBEDZWQXJEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NOS/c1-2-14-9-11-15(12-10-14)19(18-8-5-13-27-18)25-20(26)16-6-3-4-7-17(16)21(22,23)24/h3-13,19H,2H2,1H3,(H,25,26).
What are the key properties of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide?
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 389.44 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 46572832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).