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

C15H15F2NO5S — CID 119222257

IUPAC5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1cc(OC(F)F)c(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)s1
InChIInChI=1S/C15H15F2NO5S/c1-7-4-11(23-15(16)17)12(24-7)13(19)18(3)6-9-5-10(14(20)21)8(2)22-9/h4-5,15H,6H2,1-3H3,(H,20,21)
InChIKeyLSVWMDZDGDTNIL-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.53
Rot. Bonds6

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

5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119222257) has the molecular formula C15H15F2NO5S and a molecular weight of 359.35 g/mol. Its IUPAC name is 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119222257
Molecular FormulaC15H15F2NO5S
Molecular Weight359.35 g/mol
Exact Mass359.06
IUPAC Name5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1cc(OC(F)F)c(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)s1
InChIInChI=1S/C15H15F2NO5S/c1-7-4-11(23-15(16)17)12(24-7)13(19)18(3)6-9-5-10(14(20)21)8(2)22-9/h4-5,15H,6H2,1-3H3,(H,20,21)
InChIKeyLSVWMDZDGDTNIL-UHFFFAOYSA-N
XLogP3.53
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119222257) is 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1cc(OC(F)F)c(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)s1.
What is the InChIKey of 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is LSVWMDZDGDTNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO5S/c1-7-4-11(23-15(16)17)12(24-7)13(19)18(3)6-9-5-10(14(20)21)8(2)22-9/h4-5,15H,6H2,1-3H3,(H,20,21).
What are the key properties of 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 359.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119222257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).