5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid

C11H14N2O5S — CID 63944122

IUPAC5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid
SMILESCCCNC(=O)NC(=O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C11H14N2O5S/c1-2-5-12-11(17)13-8(14)6-19-9-4-3-7(18-9)10(15)16/h3-4H,2,5-6H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyIVKJYPLHFRIEHK-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.31
Rot. Bonds6

About 5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid

5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid (PubChem CID 63944122) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid
PubChem CID63944122
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid
SMILESCCCNC(=O)NC(=O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C11H14N2O5S/c1-2-5-12-11(17)13-8(14)6-19-9-4-3-7(18-9)10(15)16/h3-4H,2,5-6H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyIVKJYPLHFRIEHK-UHFFFAOYSA-N
XLogP1.31
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43238214
5-(2-methylidenebutylsulfanyl)furan-2-carboxylic acid
CID 66044939
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316686
5-pentylsulfanylfuran-2-carboxylic acid
CID 21162492
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27136248
5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941429
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000
5-[2-(3,5-difluoroanilino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941208
2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 43305347
2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27640774
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 9360238
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(propylcarbamoyl)acetamide
CID 7976626

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid?
The IUPAC name of 5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid (CID 63944122) is 5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid?
The canonical SMILES for 5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid is CCCNC(=O)NC(=O)CSc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid?
The InChIKey is IVKJYPLHFRIEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-2-5-12-11(17)13-8(14)6-19-9-4-3-7(18-9)10(15)16/h3-4H,2,5-6H2,1H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid?
5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid is sourced from PubChem (CID 63944122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).