5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide

C12H15F3N2O2S — CID 86851993

IUPAC5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)N(C)CCC(F)(F)F)s1
InChIInChI=1S/C12H15F3N2O2S/c1-8(18)16-7-9-3-4-10(20-9)11(19)17(2)6-5-12(13,14)15/h3-4H,5-7H2,1-2H3,(H,16,18)
InChIKeyOAIPPQZMOOZBNO-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.41
Rot. Bonds5

About 5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide

5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide (PubChem CID 86851993) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
PubChem CID86851993
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.32 g/mol
Exact Mass308.08
IUPAC Name5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)N(C)CCC(F)(F)F)s1
InChIInChI=1S/C12H15F3N2O2S/c1-8(18)16-7-9-3-4-10(20-9)11(19)17(2)6-5-12(13,14)15/h3-4H,5-7H2,1-2H3,(H,16,18)
InChIKeyOAIPPQZMOOZBNO-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(acetamidomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 86851976
N-[[5-[(2R,3R)-2-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
CID 124726006
5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120832947
3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833486
5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide
CID 71936648
4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
CID 90613215
2-[[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325372
2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 113226775
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103237529
3-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-1-methyl-1-(3,3,3-trifluoropropyl)urea
CID 71886517
N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 86833515

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide (CID 86851993) is 5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide is CC(=O)NCc1ccc(C(=O)N(C)CCC(F)(F)F)s1.
What is the InChIKey of 5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The InChIKey is OAIPPQZMOOZBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-8(18)16-7-9-3-4-10(20-9)11(19)17(2)6-5-12(13,14)15/h3-4H,5-7H2,1-2H3,(H,16,18).
What are the key properties of 5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide has a molecular weight of 308.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide is sourced from PubChem (CID 86851993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).