5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid

C8H8N2O6S — CID 63946377

IUPAC5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid
SMILESNC(=O)NC(=O)CS(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H8N2O6S/c9-8(14)10-5(11)3-17(15)6-2-1-4(16-6)7(12)13/h1-2H,3H2,(H,12,13)(H3,9,10,11,14)
InChIKeyNAALHDUHKKWHIK-UHFFFAOYSA-N
MW260.23 g/mol
LogP-0.72
Rot. Bonds4

About 5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid

5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid (PubChem CID 63946377) has the molecular formula C8H8N2O6S and a molecular weight of 260.23 g/mol. Its IUPAC name is 5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid
PubChem CID63946377
Molecular FormulaC8H8N2O6S
Molecular Weight260.23 g/mol
Exact Mass260.01
IUPAC Name5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid
SMILESNC(=O)NC(=O)CS(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H8N2O6S/c9-8(14)10-5(11)3-17(15)6-2-1-4(16-6)7(12)13/h1-2H,3H2,(H,12,13)(H3,9,10,11,14)
InChIKeyNAALHDUHKKWHIK-UHFFFAOYSA-N
XLogP-0.72
TPSA139.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(oxan-4-ylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid
CID 63945370
5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid
CID 63944401
5-[(4-iodophenyl)methylsulfinyl]furan-2-carboxylic acid
CID 65477316
5-methylsulfinylfuran-2-carboxylic acid
CID 63946376
2-(3-aminophenyl)sulfinyl-N-carbamoylacetamide
CID 81180380
5-(2-methylpentylsulfinyl)furan-2-carboxylic acid
CID 63946985
2-(4-amino-2-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 82835026
5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid
CID 123122626
2-(2-amino-4-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 81185948
5-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]furan-2-carboxylic acid
CID 64777263
furan-2,5-dicarboxylic acid;indigane
CID 174700126
methyl 5-ethylsulfinylfuran-2-carboxylate
CID 163367683

Frequently Asked Questions

What is the IUPAC name of 5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid?
The IUPAC name of 5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid (CID 63946377) is 5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid?
The canonical SMILES for 5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid is NC(=O)NC(=O)CS(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid?
The InChIKey is NAALHDUHKKWHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O6S/c9-8(14)10-5(11)3-17(15)6-2-1-4(16-6)7(12)13/h1-2H,3H2,(H,12,13)(H3,9,10,11,14).
What are the key properties of 5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid?
5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid has a molecular weight of 260.23 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(carbamoylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid is sourced from PubChem (CID 63946377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).