4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid

C19H17NO6S2 — CID 68690746

IUPAC4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C19H17NO6S2/c21-19(22)14-3-7-16(8-4-14)25-11-12-26-17-9-5-15(6-10-17)20-28(23,24)18-2-1-13-27-18/h1-10,13,20H,11-12H2,(H,21,22)
InChIKeyLRHHUIWIODBWKX-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.70
Rot. Bonds9

About 4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid

4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid (PubChem CID 68690746) has the molecular formula C19H17NO6S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
PubChem CID68690746
Molecular FormulaC19H17NO6S2
Molecular Weight419.48 g/mol
Exact Mass419.05
IUPAC Name4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C19H17NO6S2/c21-19(22)14-3-7-16(8-4-14)25-11-12-26-17-9-5-15(6-10-17)20-28(23,24)18-2-1-13-27-18/h1-10,13,20H,11-12H2,(H,21,22)
InChIKeyLRHHUIWIODBWKX-UHFFFAOYSA-N
XLogP3.70
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68692111
N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide
CID 6493654
4-[2-[4-[[3-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68690195
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
4-[2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692100
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55954536
4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 30885606
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6377891
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
N-(4-butoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21169729

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid (CID 68690746) is 4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid is O=C(O)c1ccc(OCCOc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of 4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid?
The InChIKey is LRHHUIWIODBWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S2/c21-19(22)14-3-7-16(8-4-14)25-11-12-26-17-9-5-15(6-10-17)20-28(23,24)18-2-1-13-27-18/h1-10,13,20H,11-12H2,(H,21,22).
What are the key properties of 4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid?
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid has a molecular weight of 419.48 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid is sourced from PubChem (CID 68690746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).