2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid

C14H15NO5S — CID 61024579

IUPAC2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCSCc1ccc(C(=O)NCc2cc(C(=O)O)c(C)o2)o1
InChIInChI=1S/C14H15NO5S/c1-8-11(14(17)18)5-10(19-8)6-15-13(16)12-4-3-9(20-12)7-21-2/h3-5H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIFJNWAYSHVTUSU-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.67
Rot. Bonds6

About 2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 61024579) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid
PubChem CID61024579
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCSCc1ccc(C(=O)NCc2cc(C(=O)O)c(C)o2)o1
InChIInChI=1S/C14H15NO5S/c1-8-11(14(17)18)5-10(19-8)6-15-13(16)12-4-3-9(20-12)7-21-2/h3-5H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIFJNWAYSHVTUSU-UHFFFAOYSA-N
XLogP2.67
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023784
5-[[(3-fluoro-5-methylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 99637081
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044
2-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381237
5-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024303
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 114818894
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226494
5-[[(2,5-dibromobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 114367941
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
5-[[[2-(3-methoxy-4-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid (CID 61024579) is 2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid is CSCc1ccc(C(=O)NCc2cc(C(=O)O)c(C)o2)o1.
What is the InChIKey of 2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is IFJNWAYSHVTUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-8-11(14(17)18)5-10(19-8)6-15-13(16)12-4-3-9(20-12)7-21-2/h3-5H,6-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61024579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).