methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate

C15H15NO4S2 — CID 100548313

IUPACmethyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
SMILESC=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H15NO4S2/c1-3-10-16(22(18,19)14-9-6-11-21-14)13-8-5-4-7-12(13)15(17)20-2/h3-9,11H,1,10H2,2H3
InChIKeySLGHAYKTMYEDFH-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.92
Rot. Bonds6

About methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate

methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate (PubChem CID 100548313) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
PubChem CID100548313
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Namemethyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
SMILESC=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H15NO4S2/c1-3-10-16(22(18,19)14-9-6-11-21-14)13-8-5-4-7-12(13)15(17)20-2/h3-9,11H,1,10H2,2H3
InChIKeySLGHAYKTMYEDFH-UHFFFAOYSA-N
XLogP2.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100548327
N-(2-methylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547015
methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548946
methyl 2-[methyl(prop-2-enyl)amino]benzoate
CID 60695038
N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 100551054
methyl 3-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 30269413
N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547585
methyl 2-[tert-butyl(prop-2-enyl)sulfamoyl]benzoate
CID 102920573
dimethyl 2-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 30270471
N-(4-fluorophenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 26055171
N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100552462

Frequently Asked Questions

What is the IUPAC name of methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate?
The IUPAC name of methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate (CID 100548313) is methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate?
The canonical SMILES for methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate is C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccs1.
What is the InChIKey of methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate?
The InChIKey is SLGHAYKTMYEDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-3-10-16(22(18,19)14-9-6-11-21-14)13-8-5-4-7-12(13)15(17)20-2/h3-9,11H,1,10H2,2H3.
What are the key properties of methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate?
methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate has a molecular weight of 337.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate is sourced from PubChem (CID 100548313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).