2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid

C10H11NO5S2 — CID 2809526

IUPAC2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCOC(=O)c1sccc1NC(=O)CSCC(=O)O
InChIInChI=1S/C10H11NO5S2/c1-16-10(15)9-6(2-3-18-9)11-7(12)4-17-5-8(13)14/h2-3H,4-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyFSSDNBUEVLZJJQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.29
Rot. Bonds6

About 2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 2809526) has the molecular formula C10H11NO5S2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID2809526
Molecular FormulaC10H11NO5S2
Molecular Weight289.33 g/mol
Exact Mass289.01
IUPAC Name2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCOC(=O)c1sccc1NC(=O)CSCC(=O)O
InChIInChI=1S/C10H11NO5S2/c1-16-10(15)9-6(2-3-18-9)11-7(12)4-17-5-8(13)14/h2-3H,4-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyFSSDNBUEVLZJJQ-UHFFFAOYSA-N
XLogP1.29
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid (CID 2809526) is 2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid is COC(=O)c1sccc1NC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is FSSDNBUEVLZJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S2/c1-16-10(15)9-6(2-3-18-9)11-7(12)4-17-5-8(13)14/h2-3H,4-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 289.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 2809526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).