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

C16H16N2O5S2 — CID 8957045

IUPAC[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESC[C@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H16N2O5S2/c1-11(23-15(19)8-7-13-5-3-9-24-13)16(20)18-12-4-2-6-14(10-12)25(17,21)22/h2-11H,1H3,(H,18,20)(H2,17,21,22)/b8-7+/t11-/m0/s1
InChIKeyLISQEBOUSAJITH-AEZGRPFRSA-N
MW380.45 g/mol
LogP1.98
Rot. Bonds6

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

[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 8957045) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID8957045
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Name[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESC[C@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H16N2O5S2/c1-11(23-15(19)8-7-13-5-3-9-24-13)16(20)18-12-4-2-6-14(10-12)25(17,21)22/h2-11H,1H3,(H,18,20)(H2,17,21,22)/b8-7+/t11-/m0/s1
InChIKeyLISQEBOUSAJITH-AEZGRPFRSA-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'}

Analyze [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8652247
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648280
[2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648776
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8957166
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 98387643
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8957024
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8957203
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8650925
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 46788413
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8568133
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 166435468
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate
CID 55416915

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate (CID 8957045) is [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate is C[C@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is LISQEBOUSAJITH-AEZGRPFRSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c1-11(23-15(19)8-7-13-5-3-9-24-13)16(20)18-12-4-2-6-14(10-12)25(17,21)22/h2-11H,1H3,(H,18,20)(H2,17,21,22)/b8-7+/t11-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate?
[(2S)-1-oxo-1-(3-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 [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 8957045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).