N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C18H14F3NO2S — CID 56777615

IUPACN-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C18H14F3NO2S/c1-22(11-14-6-3-9-25-14)17(23)16-8-7-15(24-16)12-4-2-5-13(10-12)18(19,20)21/h2-10H,11H2,1H3
InChIKeySTZREAOZGXTFHY-UHFFFAOYSA-N
MW365.38 g/mol
LogP5.30
Rot. Bonds4

About N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 56777615) has the molecular formula C18H14F3NO2S and a molecular weight of 365.38 g/mol. Its IUPAC name is N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID56777615
Molecular FormulaC18H14F3NO2S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC NameN-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C18H14F3NO2S/c1-22(11-14-6-3-9-25-14)17(23)16-8-7-15(24-16)12-4-2-5-13(10-12)18(19,20)21/h2-10H,11H2,1H3
InChIKeySTZREAOZGXTFHY-UHFFFAOYSA-N
XLogP5.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 31150878
5-chloro-N-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 103601880
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 24982786
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 55438026
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 42953745
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
2-[methyl-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]propanoic acid
CID 122036729
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzoic acid
CID 66939291
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzamide
CID 103924500

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 56777615) is N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CN(Cc1cccs1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is STZREAOZGXTFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2S/c1-22(11-14-6-3-9-25-14)17(23)16-8-7-15(24-16)12-4-2-5-13(10-12)18(19,20)21/h2-10H,11H2,1H3.
What are the key properties of N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 56777615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).