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

C14H13F2NO5S — CID 119222406

IUPAC5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2sccc2OC(F)F)cc1C(=O)O
InChIInChI=1S/C14H13F2NO5S/c1-7-9(13(19)20)5-8(21-7)6-17(2)12(18)11-10(3-4-23-11)22-14(15)16/h3-5,14H,6H2,1-2H3,(H,19,20)
InChIKeySKBRYRXZQBKTOK-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.22
Rot. Bonds6

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

5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119222406) has the molecular formula C14H13F2NO5S and a molecular weight of 345.32 g/mol. Its IUPAC name is 5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119222406
Molecular FormulaC14H13F2NO5S
Molecular Weight345.32 g/mol
Exact Mass345.05
IUPAC Name5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2sccc2OC(F)F)cc1C(=O)O
InChIInChI=1S/C14H13F2NO5S/c1-7-9(13(19)20)5-8(21-7)6-17(2)12(18)11-10(3-4-23-11)22-14(15)16/h3-5,14H,6H2,1-2H3,(H,19,20)
InChIKeySKBRYRXZQBKTOK-UHFFFAOYSA-N
XLogP3.22
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119222406) is 5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2sccc2OC(F)F)cc1C(=O)O.
What is the InChIKey of 5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is SKBRYRXZQBKTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO5S/c1-7-9(13(19)20)5-8(21-7)6-17(2)12(18)11-10(3-4-23-11)22-14(15)16/h3-5,14H,6H2,1-2H3,(H,19,20).
What are the key properties of 5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 345.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119222406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).