2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid

C10H11NO4S2 — CID 122180360

IUPAC2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid
SMILESO=C(O)CSC(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C10H11NO4S2/c12-8(4-7-2-1-3-16-7)11-5-10(15)17-6-9(13)14/h1-3H,4-6H2,(H,11,12)(H,13,14)
InChIKeyHILKCUKWDTUZKO-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.75
Rot. Bonds6

About 2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid

2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid (PubChem CID 122180360) has the molecular formula C10H11NO4S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid
PubChem CID122180360
Molecular FormulaC10H11NO4S2
Molecular Weight273.34 g/mol
Exact Mass273.01
IUPAC Name2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid
SMILESO=C(O)CSC(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C10H11NO4S2/c12-8(4-7-2-1-3-16-7)11-5-10(15)17-6-9(13)14/h1-3H,4-6H2,(H,11,12)(H,13,14)
InChIKeyHILKCUKWDTUZKO-UHFFFAOYSA-N
XLogP0.75
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(2-chloroprop-2-enyl)-2-thiophen-2-ylacetamide
CID 115636481
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
CID 81318404
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylacetamide
CID 47143342
2-[2-(2-thiophen-2-ylacetyl)hydrazinyl]acetic acid
CID 19834259
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112995358
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
CID 90500614

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid (CID 122180360) is 2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid is O=C(O)CSC(=O)CNC(=O)Cc1cccs1.
What is the InChIKey of 2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid?
The InChIKey is HILKCUKWDTUZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S2/c12-8(4-7-2-1-3-16-7)11-5-10(15)17-6-9(13)14/h1-3H,4-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid?
2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid has a molecular weight of 273.34 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid is sourced from PubChem (CID 122180360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).