methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate

C15H15NO4S2 — CID 100548946

IUPACmethyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
SMILESC=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H15NO4S2/c1-3-10-16(22(18,19)14-5-4-11-21-14)13-8-6-12(7-9-13)15(17)20-2/h3-9,11H,1,10H2,2H3
InChIKeyVNBIVJSPYYKMQG-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.92
Rot. Bonds6

About methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate

methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate (PubChem CID 100548946) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
PubChem CID100548946
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Namemethyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
SMILESC=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H15NO4S2/c1-3-10-16(22(18,19)14-5-4-11-21-14)13-8-6-12(7-9-13)15(17)20-2/h3-9,11H,1,10H2,2H3
InChIKeyVNBIVJSPYYKMQG-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

N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547585
methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548313
N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 100551054
N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100549879
methyl 4-[2,5-dioxo-3-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]pyrrolidin-1-yl]benzoate
CID 23772653
methyl 4-[bis(prop-2-enyl)amino]benzoate
CID 11806509
N-(2-methylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547015
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
CID 2989459
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
methyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551743
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648

Frequently Asked Questions

What is the IUPAC name of methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate?
The IUPAC name of methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate (CID 100548946) is methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate?
The canonical SMILES for methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate is C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate?
The InChIKey is VNBIVJSPYYKMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-3-10-16(22(18,19)14-5-4-11-21-14)13-8-6-12(7-9-13)15(17)20-2/h3-9,11H,1,10H2,2H3.
What are the key properties of methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate?
methyl 4-[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 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate is sourced from PubChem (CID 100548946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).