4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid

C8H8N2O4S2 — CID 79140233

IUPAC4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
SMILESNC(=O)NC(=O)CSc1csc(C(=O)O)c1
InChIInChI=1S/C8H8N2O4S2/c9-8(14)10-6(11)3-15-4-1-5(7(12)13)16-2-4/h1-2H,3H2,(H,12,13)(H3,9,10,11,14)
InChIKeySJGAEWJGICYUCB-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.73
Rot. Bonds4

About 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid

4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid (PubChem CID 79140233) has the molecular formula C8H8N2O4S2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
PubChem CID79140233
Molecular FormulaC8H8N2O4S2
Molecular Weight260.30 g/mol
Exact Mass259.99
IUPAC Name4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
SMILESNC(=O)NC(=O)CSc1csc(C(=O)O)c1
InChIInChI=1S/C8H8N2O4S2/c9-8(14)10-6(11)3-15-4-1-5(7(12)13)16-2-4/h1-2H,3H2,(H,12,13)(H3,9,10,11,14)
InChIKeySJGAEWJGICYUCB-UHFFFAOYSA-N
XLogP0.73
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid (CID 79140233) is 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid is NC(=O)NC(=O)CSc1csc(C(=O)O)c1.
What is the InChIKey of 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The InChIKey is SJGAEWJGICYUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S2/c9-8(14)10-6(11)3-15-4-1-5(7(12)13)16-2-4/h1-2H,3H2,(H,12,13)(H3,9,10,11,14).
What are the key properties of 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79140233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).