2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate

C20H17NO6S2 — CID 30906041

IUPAC2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(OCCOC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C20H17NO6S2/c22-19(15-7-2-1-3-8-15)26-12-13-27-20(23)16-9-4-5-10-17(16)21-29(24,25)18-11-6-14-28-18/h1-11,14,21H,12-13H2
InChIKeyNDCWPCNAVYAHBE-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.56
Rot. Bonds8

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

2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 30906041) has the molecular formula C20H17NO6S2 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID30906041
Molecular FormulaC20H17NO6S2
Molecular Weight431.49 g/mol
Exact Mass431.05
IUPAC Name2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(OCCOC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C20H17NO6S2/c22-19(15-7-2-1-3-8-15)26-12-13-27-20(23)16-9-4-5-10-17(16)21-29(24,25)18-11-6-14-28-18/h1-11,14,21H,12-13H2
InChIKeyNDCWPCNAVYAHBE-UHFFFAOYSA-N
XLogP3.56
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
butyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 18157559
(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620159
[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2380169
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
[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-[(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
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 24530687
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30591354
methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
CID 108783728

Frequently Asked Questions

What is the IUPAC name of 2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of 2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate (CID 30906041) is 2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for 2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for 2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate is O=C(OCCOC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of 2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is NDCWPCNAVYAHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6S2/c22-19(15-7-2-1-3-8-15)26-12-13-27-20(23)16-9-4-5-10-17(16)21-29(24,25)18-11-6-14-28-18/h1-11,14,21H,12-13H2.
What are the key properties of 2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate?
2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 431.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 30906041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).