[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate

C14H13NO5S2 — CID 754067

IUPAC[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate
SMILESCC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H13NO5S2/c1-10(16)15(22(18,19)14-4-3-9-21-14)12-5-7-13(8-6-12)20-11(2)17/h3-9H,1-2H3
InChIKeyUFYGYVBTXWYKNC-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.42
Rot. Bonds4

About [4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate

[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate (PubChem CID 754067) has the molecular formula C14H13NO5S2 and a molecular weight of 339.39 g/mol. Its IUPAC name is [4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate.

Molecular Properties

Compound Name[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate
PubChem CID754067
Molecular FormulaC14H13NO5S2
Molecular Weight339.39 g/mol
Exact Mass339.02
IUPAC Name[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate
SMILESCC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H13NO5S2/c1-10(16)15(22(18,19)14-4-3-9-21-14)12-5-7-13(8-6-12)20-11(2)17/h3-9H,1-2H3
InChIKeyUFYGYVBTXWYKNC-UHFFFAOYSA-N
XLogP2.42
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate?
The IUPAC name of [4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate (CID 754067) is [4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate.
What is the SMILES notation for [4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate?
The canonical SMILES for [4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate is CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of [4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate?
The InChIKey is UFYGYVBTXWYKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S2/c1-10(16)15(22(18,19)14-4-3-9-21-14)12-5-7-13(8-6-12)20-11(2)17/h3-9H,1-2H3.
What are the key properties of [4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate?
[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate has a molecular weight of 339.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate is sourced from PubChem (CID 754067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).