methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate

C16H14F3NO3S — CID 8928494

IUPACmethyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C16H14F3NO3S/c1-9-6-13(24-14(9)15(22)23-2)20-12(21)8-10-4-3-5-11(7-10)16(17,18)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyXKXAPYWOFBRDJG-UHFFFAOYSA-N
MW357.35 g/mol
LogP4.04
Rot. Bonds4

About methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate

methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate (PubChem CID 8928494) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate
PubChem CID8928494
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Namemethyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C16H14F3NO3S/c1-9-6-13(24-14(9)15(22)23-2)20-12(21)8-10-4-3-5-11(7-10)16(17,18)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyXKXAPYWOFBRDJG-UHFFFAOYSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 8928493
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 17463691
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8744983
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
ethyl 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylate
CID 43423510
5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29045288
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7934876
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 27832732

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate (CID 8928494) is methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is XKXAPYWOFBRDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-9-6-13(24-14(9)15(22)23-2)20-12(21)8-10-4-3-5-11(7-10)16(17,18)19/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate?
methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate has a molecular weight of 357.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 8928494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).