N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide

C14H12F3NO2S — CID 3749251

IUPACN-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCc1cccs1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)9-20-11-5-3-10(4-6-11)13(19)18-8-12-2-1-7-21-12/h1-7H,8-9H2,(H,18,19)
InChIKeyVGMGXJQTEDCHMW-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.62
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide

N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 3749251) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID3749251
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC NameN-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCc1cccs1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)9-20-11-5-3-10(4-6-11)13(19)18-8-12-2-1-7-21-12/h1-7H,8-9H2,(H,18,19)
InChIKeyVGMGXJQTEDCHMW-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55842822
4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62165965
4-formamido-N-(thiophen-2-ylmethyl)benzamide
CID 168653022
N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46482581
2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2427182
N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 97106530
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 55604969
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide
CID 18149564

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide (CID 3749251) is N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide is O=C(NCc1cccs1)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is VGMGXJQTEDCHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-14(16,17)9-20-11-5-3-10(4-6-11)13(19)18-8-12-2-1-7-21-12/h1-7H,8-9H2,(H,18,19).
What are the key properties of N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide?
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 315.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 3749251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).