5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid

C14H15NO4S — CID 154751955

IUPAC5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid
SMILESCC(Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H15NO4S/c1-9(7-10-5-6-20-8-10)15(2)13(16)11-3-4-12(19-11)14(17)18/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyRHCWLMBGLDFRGD-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.74
Rot. Bonds5

About 5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid

5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid (PubChem CID 154751955) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid
PubChem CID154751955
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid
SMILESCC(Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H15NO4S/c1-9(7-10-5-6-20-8-10)15(2)13(16)11-3-4-12(19-11)14(17)18/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyRHCWLMBGLDFRGD-UHFFFAOYSA-N
XLogP2.74
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79084704
5-[methyl-[(2S)-1-thiophen-3-ylpropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 129414965
5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid
CID 106947312
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317250
4-[[ethyl(1-thiophen-3-ylpropan-2-yl)amino]methyl]benzoic acid
CID 122033177
N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide
CID 75508852
3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 71975319
2-hydroxy-N-methyl-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 71914701
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(1-thiophen-3-ylpropan-2-yl)urea
CID 111631166
4-[[[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]amino]methyl]benzoic acid
CID 122020728
6-cyclopropyl-N-methyl-2-oxo-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyridine-3-carboxamide
CID 138026423
2-[ethyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122056280

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid (CID 154751955) is 5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid is CC(Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid?
The InChIKey is RHCWLMBGLDFRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-9(7-10-5-6-20-8-10)15(2)13(16)11-3-4-12(19-11)14(17)18/h3-6,8-9H,7H2,1-2H3,(H,17,18).
What are the key properties of 5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid?
5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(1-thiophen-3-ylpropan-2-yl)carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 154751955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).