(2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid

C13H11NO4S — CID 151848888

IUPAC(2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid
SMILESO=C(O)NC(C(=O)Oc1ccccc1)c1cccs1
InChIInChI=1S/C13H11NO4S/c15-12(18-9-5-2-1-3-6-9)11(14-13(16)17)10-7-4-8-19-10/h1-8,11,14H,(H,16,17)
InChIKeySIGCYTXTOXFLGT-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.66
Rot. Bonds4

About (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid

(2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid (PubChem CID 151848888) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid.

Molecular Properties

Compound Name(2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid
PubChem CID151848888
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name(2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid
SMILESO=C(O)NC(C(=O)Oc1ccccc1)c1cccs1
InChIInChI=1S/C13H11NO4S/c15-12(18-9-5-2-1-3-6-9)11(14-13(16)17)10-7-4-8-19-10/h1-8,11,14H,(H,16,17)
InChIKeySIGCYTXTOXFLGT-UHFFFAOYSA-N
XLogP2.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid?
The IUPAC name of (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid (CID 151848888) is (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid.
What is the SMILES notation for (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid?
The canonical SMILES for (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid is O=C(O)NC(C(=O)Oc1ccccc1)c1cccs1.
What is the InChIKey of (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid?
The InChIKey is SIGCYTXTOXFLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c15-12(18-9-5-2-1-3-6-9)11(14-13(16)17)10-7-4-8-19-10/h1-8,11,14H,(H,16,17).
What are the key properties of (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid?
(2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid has a molecular weight of 277.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid is sourced from PubChem (CID 151848888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).