4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid

C17H19NO5S — CID 120543166

IUPAC4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)NCC3(C(=O)O)CCOCC3)s2)o1
InChIInChI=1S/C17H19NO5S/c1-11-2-3-12(23-11)13-4-5-14(24-13)15(19)18-10-17(16(20)21)6-8-22-9-7-17/h2-5H,6-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyYVZMKOYGKHYUBR-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.93
Rot. Bonds5

About 4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid

4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 120543166) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID120543166
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)NCC3(C(=O)O)CCOCC3)s2)o1
InChIInChI=1S/C17H19NO5S/c1-11-2-3-12(23-11)13-4-5-14(24-13)15(19)18-10-17(16(20)21)6-8-22-9-7-17/h2-5H,6-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyYVZMKOYGKHYUBR-UHFFFAOYSA-N
XLogP2.93
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362670
4-[[[2-(5-methylthiophen-2-yl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542368
4-[[(1,5-dimethylpyrrole-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438424
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123
4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542195
4-[[(2,4-dimethylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438197
4-[[(5-ethylfuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438391
4-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438507
4-[[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542813
4-[[(5-bromo-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438275
4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438299
4-[[(4-fluoro-3-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438418

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid (CID 120543166) is 4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid is Cc1ccc(-c2ccc(C(=O)NCC3(C(=O)O)CCOCC3)s2)o1.
What is the InChIKey of 4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is YVZMKOYGKHYUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-11-2-3-12(23-11)13-4-5-14(24-13)15(19)18-10-17(16(20)21)6-8-22-9-7-17/h2-5H,6-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(5-methylfuran-2-yl)thiophene-2-carbonyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120543166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).