[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate

C16H16N2O5S2 — CID 6217772

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESCC(OC(=O)/C=C/c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16N2O5S2/c1-11(23-15(19)9-6-13-3-2-10-24-13)16(20)18-12-4-7-14(8-5-12)25(17,21)22/h2-11H,1H3,(H,18,20)(H2,17,21,22)/b9-6+
InChIKeyWLSVJEKKIYLHKP-RMKNXTFCSA-N
MW380.45 g/mol
LogP1.98
Rot. Bonds6

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 6217772) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID6217772
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESCC(OC(=O)/C=C/c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16N2O5S2/c1-11(23-15(19)9-6-13-3-2-10-24-13)16(20)18-12-4-7-14(8-5-12)25(17,21)22/h2-11H,1H3,(H,18,20)(H2,17,21,22)/b9-6+
InChIKeyWLSVJEKKIYLHKP-RMKNXTFCSA-N
XLogP1.98
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate (CID 6217772) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate is CC(OC(=O)/C=C/c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is WLSVJEKKIYLHKP-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c1-11(23-15(19)9-6-13-3-2-10-24-13)16(20)18-12-4-7-14(8-5-12)25(17,21)22/h2-11H,1H3,(H,18,20)(H2,17,21,22)/b9-6+.
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 380.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 6217772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).