2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate

C19H17NO5S2 — CID 16595121

IUPAC2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(OCCOc1ccccc1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H17NO5S2/c21-19(25-13-12-24-15-7-2-1-3-8-15)16-9-4-5-10-17(16)20-27(22,23)18-11-6-14-26-18/h1-11,14,20H,12-13H2
InChIKeyFVRFZIRZNHPNAV-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.78
Rot. Bonds8

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

2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 16595121) has the molecular formula C19H17NO5S2 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID16595121
Molecular FormulaC19H17NO5S2
Molecular Weight403.48 g/mol
Exact Mass403.05
IUPAC Name2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(OCCOc1ccccc1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H17NO5S2/c21-19(25-13-12-24-15-7-2-1-3-8-15)16-9-4-5-10-17(16)20-27(22,23)18-11-6-14-26-18/h1-11,14,20H,12-13H2
InChIKeyFVRFZIRZNHPNAV-UHFFFAOYSA-N
XLogP3.78
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30906041
butyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 18157559
(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620159
4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68692111
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2380169
[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-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530371
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of 2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate (CID 16595121) is 2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for 2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for 2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate is O=C(OCCOc1ccccc1)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of 2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is FVRFZIRZNHPNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S2/c21-19(25-13-12-24-15-7-2-1-3-8-15)16-9-4-5-10-17(16)20-27(22,23)18-11-6-14-26-18/h1-11,14,20H,12-13H2.
What are the key properties of 2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate?
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 403.48 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 16595121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).