2-formamido-2-thiophen-2-ylacetic acid

C7H7NO3S — CID 21492681

IUPAC2-formamido-2-thiophen-2-ylacetic acid
SMILESO=CNC(C(=O)O)c1cccs1
InChIInChI=1S/C7H7NO3S/c9-4-8-6(7(10)11)5-2-1-3-12-5/h1-4,6H,(H,8,9)(H,10,11)
InChIKeyJWNVPCUGHDNHQI-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.62
Rot. Bonds4

About 2-formamido-2-thiophen-2-ylacetic acid

2-formamido-2-thiophen-2-ylacetic acid (PubChem CID 21492681) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-formamido-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-formamido-2-thiophen-2-ylacetic acid
PubChem CID21492681
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name2-formamido-2-thiophen-2-ylacetic acid
SMILESO=CNC(C(=O)O)c1cccs1
InChIInChI=1S/C7H7NO3S/c9-4-8-6(7(10)11)5-2-1-3-12-5/h1-4,6H,(H,8,9)(H,10,11)
InChIKeyJWNVPCUGHDNHQI-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
CID 79018787
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 113278622
2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
CID 61347911
2-(benzylamino)-2-thiophen-2-ylacetic acid
CID 61346757
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784
2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 115283749
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
2-(heptanoylamino)-2-thiophen-2-ylacetic acid
CID 115283757
2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284329
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582

Frequently Asked Questions

What is the IUPAC name of 2-formamido-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-formamido-2-thiophen-2-ylacetic acid (CID 21492681) is 2-formamido-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-formamido-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-formamido-2-thiophen-2-ylacetic acid is O=CNC(C(=O)O)c1cccs1.
What is the InChIKey of 2-formamido-2-thiophen-2-ylacetic acid?
The InChIKey is JWNVPCUGHDNHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c9-4-8-6(7(10)11)5-2-1-3-12-5/h1-4,6H,(H,8,9)(H,10,11).
What are the key properties of 2-formamido-2-thiophen-2-ylacetic acid?
2-formamido-2-thiophen-2-ylacetic acid has a molecular weight of 185.20 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 21492681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).