butyl 2-(thiophen-2-ylsulfonylamino)benzoate

C15H17NO4S2 — CID 18157559

IUPACbutyl 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESCCCCOC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO4S2/c1-2-3-10-20-15(17)12-7-4-5-8-13(12)16-22(18,19)14-9-6-11-21-14/h4-9,11,16H,2-3,10H2,1H3
InChIKeyMTDMMQNQNRGENZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.51
Rot. Bonds7

About butyl 2-(thiophen-2-ylsulfonylamino)benzoate

butyl 2-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 18157559) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is butyl 2-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namebutyl 2-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID18157559
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Namebutyl 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESCCCCOC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO4S2/c1-2-3-10-20-15(17)12-7-4-5-8-13(12)16-22(18,19)14-9-6-11-21-14/h4-9,11,16H,2-3,10H2,1H3
InChIKeyMTDMMQNQNRGENZ-UHFFFAOYSA-N
XLogP3.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620159
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620113
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 7371081
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 30885606
[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2380169
methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
CID 108783728
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620126
(2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2385509
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30591354
dibutyl benzene-1,2-dicarboxylate
CID 69108201

Frequently Asked Questions

What is the IUPAC name of butyl 2-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of butyl 2-(thiophen-2-ylsulfonylamino)benzoate (CID 18157559) is butyl 2-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for butyl 2-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for butyl 2-(thiophen-2-ylsulfonylamino)benzoate is CCCCOC(=O)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of butyl 2-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is MTDMMQNQNRGENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-2-3-10-20-15(17)12-7-4-5-8-13(12)16-22(18,19)14-9-6-11-21-14/h4-9,11,16H,2-3,10H2,1H3.
What are the key properties of butyl 2-(thiophen-2-ylsulfonylamino)benzoate?
butyl 2-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 339.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 18157559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).