5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid

C14H13F2NO5S — CID 119226596

IUPAC5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1cc(OC(F)F)c(C(=O)NCc2cc(C(=O)O)c(C)o2)s1
InChIInChI=1S/C14H13F2NO5S/c1-6-3-10(22-14(15)16)11(23-6)12(18)17-5-8-4-9(13(19)20)7(2)21-8/h3-4,14H,5H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPFKSPPZPDYQRCN-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.19
Rot. Bonds6

About 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119226596) has the molecular formula C14H13F2NO5S and a molecular weight of 345.32 g/mol. Its IUPAC name is 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119226596
Molecular FormulaC14H13F2NO5S
Molecular Weight345.32 g/mol
Exact Mass345.05
IUPAC Name5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1cc(OC(F)F)c(C(=O)NCc2cc(C(=O)O)c(C)o2)s1
InChIInChI=1S/C14H13F2NO5S/c1-6-3-10(22-14(15)16)11(23-6)12(18)17-5-8-4-9(13(19)20)7(2)21-8/h3-4,14H,5H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPFKSPPZPDYQRCN-UHFFFAOYSA-N
XLogP3.19
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid (CID 119226596) is 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1cc(OC(F)F)c(C(=O)NCc2cc(C(=O)O)c(C)o2)s1.
What is the InChIKey of 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is PFKSPPZPDYQRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO5S/c1-6-3-10(22-14(15)16)11(23-6)12(18)17-5-8-4-9(13(19)20)7(2)21-8/h3-4,14H,5H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 345.32 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119226596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).